Purchasability


Ligand source activities (1 row/activity)

Select all ChEMBL ID Receptor Species Purchasable p-value
(-log)		 Activity
Type		 Activity
Relation		 Activity
Value		 Unit Assay Type Assay Description Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles
CHEMBL237830 cxcr4_human Human Yes 9.5 EC50 = 0.3 Funct
Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cellsDisplacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells
290 6 2 4 3.4 C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3
CHEMBL237830 cxcr4_human Human Yes 9.5 EC50 = 0.3 Funct
Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cellsDisplacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells
290 6 2 4 3.4 C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3
CHEMBL2372985 cxcr4_human Human No 9.4 EC50 = 0.4 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2052 46 31 27 -7.4 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2372997 cxcr4_human Human No 9.3 EC50 = 0.5 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2053 46 31 28 -9.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2372993 cxcr4_human Human No 9.2 EC50 = 0.6 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2023 46 30 27 -6.7 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2373004 cxcr4_human Human No 8.9 EC50 = 1.2 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2052 46 31 27 -7.4 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370125 cxcr4_human Human No 5.9 EC50 = 1300 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1952 43 28 27 -7.1 CC(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC3CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC5=CC=C(C=C5)O)CCCN=C(N)N)CCCCN)CCCCN)CC6=CC=C(C=C6)O)CCCN=C(N)N)CCCNC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)N
CHEMBL2370130 cxcr4_human Human No 7.8 EC50 = 15 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2038 47 30 28 -8.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370132 cxcr4_human Human No 7.8 EC50 = 15 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2038 47 30 28 -8.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCNC(=O)N)CC6=CC=C(C=C6)O
CHEMBL2370136 cxcr4_human Human No 7.8 EC50 = 16 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2066 47 31 28 -9.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCNC(=O)N)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370133 cxcr4_human Human No 7.8 EC50 = 16 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1951 43 28 27 -7.4 CC1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC3=CC=C(C=C3)O)CCCCN)CCCCN)CCCN=C(N)N)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O
CHEMBL2370140 cxcr4_human Human No 7.8 EC50 = 16 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1980 43 29 27 -8.1 CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370139 cxcr4_human Human No 7.8 EC50 = 17 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1945 45 29 27 -9.6 CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N
CHEMBL2370105 cxcr4_human Human No 7.8 EC50 = 17 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2011 47 31 28 -8.6 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CCCCN)CCCN=C(N)N)CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC5=CC=C(C=C5)O
CHEMBL2370134 cxcr4_human Human No 7.8 EC50 = 18 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1952 43 28 27 -7.1 CC1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CC=C(C=C3)O)CCCCN)CCCCN)CCCN=C(N)N)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N
CHEMBL1256529 cxcr4_human Human No 7.7 EC50 = 18.7 Funct
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
2651 67 39 32 -0.8 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCNC(=O)CCC(=O)NCCCCCCN3CCC(CC3)NC(=O)C(=O)NC4=CC=C(C=C4)Cl)CCCNC(=N)N)CCCNC(=O)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C8=CC=C(C=C8)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC9=CC=C(C=C9)O
CHEMBL1256529 cxcr4_human Human No 7.7 EC50 = 18.7 Funct
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
2651 67 39 32 -0.8 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCNC(=O)CCC(=O)NCCCCCCN3CCC(CC3)NC(=O)C(=O)NC4=CC=C(C=C4)Cl)CCCNC(=N)N)CCCNC(=O)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C8=CC=C(C=C8)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC9=CC=C(C=C9)O
CHEMBL3781301 cxcr4_human Human Yes 5.7 EC50 = 1900 Funct
Antagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assayAntagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assay
400 8 1 4 4.3 C1CCN(CC1)CCN(CC2CCCN(C2)C3CCCC3)CC4=CC(=CC=C4)O
CHEMBL3781301 cxcr4_human Human Yes 5.7 EC50 = 1900 Funct
Antagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assayAntagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assay
400 8 1 4 4.3 C1CCN(CC1)CCN(CC2CCCN(C2)C3CCCC3)CC4=CC(=CC=C4)O
CHEMBL2372989 cxcr4_human Human No 8.6 EC50 = 2.7 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2052 46 31 27 -7.4 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCNC(=O)N)CC6=CC=C(C=C6)O
CHEMBL2373002 cxcr4_human Human No 8.6 EC50 = 2.8 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2024 46 30 28 -8.3 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370108 cxcr4_human Human Yes 8.6 EC50 = 2.8 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2038 51 34 28 -6.5 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
CHEMBL2370126 cxcr4_human Human No 5.6 EC50 = 2500 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1911 45 30 28 -11.2 CC(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC3=CC=C(C=C3)O)CCCN=C(N)N)CCCCN)CCCCN)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCNC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N
CHEMBL2372983 cxcr4_human Human No 8.5 EC50 = 3.3 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2023 46 30 28 -8.6 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2373005 cxcr4_human Human No 7.4 EC50 = 36 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2053 46 31 28 -9.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370127 cxcr4_human Human No 6.4 EC50 = 360 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1945 45 29 27 -9.6 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC5=CC=C(C=C5)O)CCCCN)CCCCN)CCCN=C(N)N
CHEMBL2373000 cxcr4_human Human No 7.4 EC50 = 37 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2025 46 30 28 -8.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2372994 cxcr4_human Human No 8.4 EC50 = 4 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2052 46 31 28 -9.3 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370135 cxcr4_human Human Yes 8.4 EC50 = 4 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2066 52 36 28 -7.1 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
CHEMBL1256528 cxcr4_human Human No 8.4 EC50 = 4.4 Funct
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
2622 65 39 32 -1.5 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCNC(=O)CCC(=O)NCCCCN3CCC(CC3)NC(=O)C(=O)NC4=CC=C(C=C4)Cl)CCCNC(=N)N)CCCNC(=O)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C8=CC=C(C=C8)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC9=CC=C(C=C9)O
CHEMBL1256528 cxcr4_human Human No 8.4 EC50 = 4.4 Funct
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
2622 65 39 32 -1.5 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCNC(=O)CCC(=O)NCCCCN3CCC(CC3)NC(=O)C(=O)NC4=CC=C(C=C4)Cl)CCCNC(=N)N)CCCNC(=O)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C8=CC=C(C=C8)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC9=CC=C(C=C9)O
CHEMBL2373001 cxcr4_human Human No 8.3 EC50 = 4.6 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2051 46 31 27 -7.7 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2373003 cxcr4_human Human No 7.4 EC50 = 40 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2024 46 30 27 -6.4 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCNC(=O)N)CC6=CC=C(C=C6)O
CHEMBL3038228 cxcr4_human Human No 6.4 EC50 = 400 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1952 43 28 27 -7.1 CC(C(=O)O)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=O)N)CCCN=C(N)N)CC3=CC=C(C=C3)O)CCCCN)CCCCN)CCCN=C(N)N)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N
CHEMBL3327368 cxcr4_human Human No 4.4 EC50 = 43651.6 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
624 10 9 7 -1.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N
CHEMBL3327368 cxcr4_human Human No 4.4 EC50 = 43651.6 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
624 10 9 7 -1.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N
CHEMBL3327368 cxcr4_human Human No 4.4 EC50 = 44000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
624 10 9 7 -1.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N
CHEMBL2370109 cxcr4_human Human No 6.4 EC50 = 450 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2038 47 30 28 -8.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=O)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370106 cxcr4_human Human No 7.3 EC50 = 47 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1980 43 29 27 -8.1 CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O)CCCCN
CHEMBL3608763 cxcr4_human Human Yes 4.3 EC50 = 52000 Funct
Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL3608763 cxcr4_human Human Yes 4.3 EC50 = 52000 Funct
Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL3038227 cxcr4_human Human No 7.3 EC50 = 56 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1952 43 28 27 -7.1 CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC3CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC5=CC=C(C=C5)O)CCCN=C(N)N)CCCCN)CCCCN)CC6=CC=C(C=C6)O)CCCN=C(N)N)CCCNC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N
CHEMBL3327366 cxcr4_human Human No 4.2 EC50 = 57544.0 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
469 14 6 4 0.4 C1=CC=C2C=C(C=CC2=C1)CCNC(=O)C(CCCN=C(N)N)NC(=O)CCCCN=C(N)N
CHEMBL3327366 cxcr4_human Human No 4.2 EC50 = 57544.0 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
469 14 6 4 0.4 C1=CC=C2C=C(C=CC2=C1)CCNC(=O)C(CCCN=C(N)N)NC(=O)CCCCN=C(N)N
CHEMBL3327366 cxcr4_human Human No 4.2 EC50 = 58000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
469 14 6 4 0.4 C1=CC=C2C=C(C=CC2=C1)CCNC(=O)C(CCCN=C(N)N)NC(=O)CCCCN=C(N)N
CHEMBL2372999 cxcr4_human Human No 8.2 EC50 = 6.6 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2024 46 30 27 -6.4 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2372995 cxcr4_human Human No 8.2 EC50 = 6.8 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2024 46 30 27 -6.4 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCNC(=O)N)CC6=CC=C(C=C6)O
CHEMBL3327373 cxcr4_human Human No 4.2 EC50 = 60000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
567 10 8 6 -1.0 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N
CHEMBL3327373 cxcr4_human Human No 4.2 EC50 = 60256.0 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
567 10 8 6 -1.0 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N
CHEMBL3327373 cxcr4_human Human No 4.2 EC50 = 60256.0 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
567 10 8 6 -1.0 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N
CHEMBL3327376 cxcr4_human Human No 4.2 EC50 = 63095.7 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
539 11 4 5 1.2 C1C2N(C(C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N
CHEMBL3327376 cxcr4_human Human No 4.2 EC50 = 64000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
539 11 4 5 1.2 C1C2N(C(C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N
CHEMBL3327376 cxcr4_human Human No 4.2 EC50 = 64000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
539 11 4 5 1.2 C1C2N(C(C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N
CHEMBL2180085 cxcr4_human Human No 6.2 EC50 = 660 Funct
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
688 11 9 8 0.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN)CC4=CC=C(C=C4)O
CHEMBL2220487 cxcr4_human Human No 6.2 EC50 = 660 Funct
Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation countingAntagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
688 11 9 8 0.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN)CC4=CC=C(C=C4)O
CHEMBL2372986 cxcr4_human Human No 7.2 EC50 = 68 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2025 46 30 28 -8.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCNC(=O)N)CC6=CC=C(C=C6)O
CHEMBL3779982 cxcr4_human Human Yes 7.2 EC50 = 68.4 Funct
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membraneDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane
502 12 5 7 5.5 C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC4=CC=CC=C4C(=N3)NC5CCNCC5
CHEMBL3779982 cxcr4_human Human Yes 7.2 EC50 = 68.4 Funct
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membraneDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane
502 12 5 7 5.5 C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC4=CC=CC=C4C(=N3)NC5CCNCC5
CHEMBL1256530 cxcr4_human Human No 8.2 EC50 = 7.1 Funct
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
2679 69 39 32 0.3 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCNC(=O)CCC(=O)NCCCCCCCCN3CCC(CC3)NC(=O)C(=O)NC4=CC=C(C=C4)Cl)CCCNC(=N)N)CCCNC(=O)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C8=CC=C(C=C8)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC9=CC=C(C=C9)O
CHEMBL1256530 cxcr4_human Human No 8.2 EC50 = 7.1 Funct
Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cellsDisplacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
2679 69 39 32 0.3 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCNC(=O)CCC(=O)NCCCCCCCCN3CCC(CC3)NC(=O)C(=O)NC4=CC=C(C=C4)Cl)CCCNC(=N)N)CCCNC(=O)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C8=CC=C(C=C8)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC9=CC=C(C=C9)O
CHEMBL2372990 cxcr4_human Human No 8.1 EC50 = 7.8 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2053 46 31 28 -9.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCNC(=O)N)CC6=CC=C(C=C6)O
CHEMBL3608763 cxcr4_human Human Yes 4.2 EC50 = 70000 Funct
Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL3608763 cxcr4_human Human Yes 4.2 EC50 = 70000 Funct
Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL2372998 cxcr4_human Human No 7.1 EC50 = 72 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2022 46 30 27 -7.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL3327375 cxcr4_human Human No 4.1 EC50 = 79432.8 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
539 11 4 5 1.2 C1C2N(C(C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N
CHEMBL2370104 cxcr4_human Human No 8.1 EC50 = 8.3 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2026 52 36 28 -7.6 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
CHEMBL2372996 cxcr4_human Human No 8.1 EC50 = 8.9 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
2025 46 30 28 -8.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCNC(=O)N)CC6=CC=C(C=C6)O
CHEMBL3327375 cxcr4_human Human No 4.1 EC50 = 80000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
539 11 4 5 1.2 C1C2N(C(C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N
CHEMBL3327375 cxcr4_human Human No 4.1 EC50 = 80000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
539 11 4 5 1.2 C1C2N(C(C(=O)N1CCC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)C(=O)C(CS2)CCCN=C(N)N
CHEMBL3327367 cxcr4_human Human No 4.1 EC50 = 85113.8 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
569 16 8 6 -1.1 CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N
CHEMBL3327367 cxcr4_human Human No 4.1 EC50 = 85113.8 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
569 16 8 6 -1.1 CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N
CHEMBL3327367 cxcr4_human Human No 4.1 EC50 = 86000 Funct
Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assayAntagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
569 16 8 6 -1.1 CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N
CHEMBL853 cxcr4_human Human Yes 7.1 EC50 = 88 Funct
Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayEffective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
211 2 2 3 -1.3 C1CC(OC1CO)N2C=CC(=NC2=O)N
CHEMBL2370124 cxcr4_human Human No 6.1 EC50 = 880 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
2038 47 30 28 -8.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCNC(=O)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2370137 cxcr4_human Human No 8.0 EC50 = 9.3 Funct
Inhibition of HIV-induced cytopathogenicity in MT-4 cellInhibition of HIV-induced cytopathogenicity in MT-4 cell
1952 43 28 27 -7.1 CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O)CCCCN)CCCCN
CHEMBL237830 cxcr4_human Human Yes 9.5 IC50 = 0.3 Funct
Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assayBinding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assay
290 6 2 4 3.4 C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3
CHEMBL1242210 cxcr4_human Human Yes 9.5 IC50 = 0.3 Funct
Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assayInhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_human Human Yes 9.5 IC50 = 0.3 Funct
Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assayInhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL393882 cxcr4_human Human Yes 9.2 IC50 = 0.6 Funct
Inhibition of CXCR4 in MDA-MB-231 cellsInhibition of CXCR4 in MDA-MB-231 cells
2037 51 34 27 -4.9 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
CHEMBL393882 cxcr4_human Human Yes 9.2 IC50 = 0.6 Funct
Inhibition of CXCR4 in MDA-MB-231 cellsInhibition of CXCR4 in MDA-MB-231 cells
2037 51 34 27 -4.9 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
CHEMBL1802333 cxcr4_human Human Yes 9.1 IC50 = 0.8 Funct
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
473 10 3 10 3.1 C1COCCN1CCNC2=NC=CC(=N2)NCC3=CC=C(C=C3)CNC4=NC(=NC=C4F)Cl
CHEMBL1802333 cxcr4_human Human Yes 9.1 IC50 = 0.8 Funct
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
473 10 3 10 3.1 C1COCCN1CCNC2=NC=CC(=N2)NCC3=CC=C(C=C3)CNC4=NC(=NC=C4F)Cl
CHEMBL1242210 cxcr4_human Human Yes 9.1 IC50 = 0.9 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_human Human Yes 9.1 IC50 = 0.9 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL3091683 cxcr4_human Human Yes 9.0 IC50 = 1 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
456 10 2 5 3.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCNCC3=CC=CC=N3)CC4CC5=CC=CC=C5CN4
CHEMBL1242210 cxcr4_human Human Yes 9.0 IC50 = 1.1 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_human Human Yes 9.0 IC50 = 1.1 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1644092 cxcr4_human Human Yes 8.9 IC50 = 1.3 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
388 6 2 6 1.4 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(N=CO3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1644092 cxcr4_human Human Yes 8.9 IC50 = 1.3 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
388 6 2 6 1.4 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(N=CO3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL2012527 cxcr4_human Human No 8.9 IC50 = 1.4 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2939 83 47 41 -6.8 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NCCCCC2C(=O)CC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N2)CCCNC(=N)N)CC4=CC=C(C=C4)O)CCCCN)CCCCN)CCCNC(=N)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012527 cxcr4_human Human No 8.9 IC50 = 1.4 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2939 83 47 41 -6.8 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NCCCCC2C(=O)CC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N2)CCCNC(=N)N)CC4=CC=C(C=C4)O)CCCCN)CCCCN)CCCNC(=N)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012525 cxcr4_human Human No 8.8 IC50 = 1.6 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2036 52 34 28 -6.1 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)CC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
CHEMBL2012525 cxcr4_human Human No 8.8 IC50 = 1.6 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2036 52 34 28 -6.1 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)CC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
CHEMBL237830 cxcr4_human Human Yes 8.7 IC50 = 1.8 Funct
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
290 6 2 4 3.4 C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3
CHEMBL237830 cxcr4_human Human Yes 8.8 IC50 = 1.8 Funct
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
290 6 2 4 3.4 C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3
CHEMBL1644073 cxcr4_human Human Yes 8.0 IC50 = 10 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
427 7 3 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)CN)CN)CC4=NC5=CC=CC=C5N4
CHEMBL192183 cxcr4_human Human No 8.0 IC50 = 10 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
728 9 9 8 -0.4 C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C2=O)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N)N=C(N)N
CHEMBL1644073 cxcr4_human Human Yes 8.0 IC50 = 10 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
427 7 3 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)CN)CN)CC4=NC5=CC=CC=C5N4
CHEMBL192183 cxcr4_human Human No 8.0 IC50 = 10 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
728 9 9 8 -0.4 C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C2=O)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N)N=C(N)N
CHEMBL2372983 cxcr4_human Human No 8.0 IC50 = 10.2 Funct
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
2023 46 30 28 -8.6 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL1682996 cxcr4_human Human Yes 8.0 IC50 = 10.9 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
325 7 2 5 1.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)N
CHEMBL1682996 cxcr4_human Human Yes 8.0 IC50 = 10.9 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
325 7 2 5 1.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)N
CHEMBL2029611 cxcr4_human Human No 7.0 IC50 = 100 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
741 12 9 7 1.0 CC1=C(C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)C
CHEMBL2029611 cxcr4_human Human No 7.0 IC50 = 100 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
741 12 9 7 1.0 CC1=C(C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)C
CHEMBL1949675 cxcr4_human Human Yes 6.0 IC50 = 1000 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
745 12 8 8 1.3 CC(=O)NCCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=O)N
CHEMBL408062 cxcr4_human Human No 6.0 IC50 = 1000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
674 12 9 9 -1.4 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)NCCCN=C(N)N
CHEMBL436083 cxcr4_human Human No 6.0 IC50 = 1000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
794 15 10 10 0.6 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)NCCC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)NCCCN=C(N)N
CHEMBL1949675 cxcr4_human Human Yes 6.0 IC50 = 1000 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
745 12 8 8 1.3 CC(=O)NCCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=O)N
CHEMBL408062 cxcr4_human Human No 6.0 IC50 = 1000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
674 12 9 9 -1.4 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)NCCCN=C(N)N
CHEMBL436083 cxcr4_human Human No 6.0 IC50 = 1000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
794 15 10 10 0.6 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)NCCC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)NCCCN=C(N)N
CHEMBL3608763 cxcr4_human Human Yes 5.0 IC50 = 10000 Funct
Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assayAntagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL516480 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
389 7 1 4 4.0 C1CCC(CC1)NC(=NCC2=CC=CC=C2)SCC3CSC4=NCCN34
CHEMBL191998 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
770 14 10 8 0.6 C1C=CCC(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)CCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)C(=O)NCCC4=CC=C(C=C4)O
CHEMBL364014 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
650 11 9 7 -1.4 C1C=CCC(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)CCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)C(=O)N
CHEMBL191651 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
664 11 9 7 -1.1 C1CC(NC(=O)C(NC(=O)C(NC(=O)C(CC=C1)NC(=O)CCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)C(=O)N
CHEMBL191949 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
678 11 9 7 -0.7 C1CC(C(=O)NC(C(=O)NC(C(=O)NC(CCC=C1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)NC(=O)CCN=C(N)N
CHEMBL3608763 cxcr4_human Human Yes 5.0 IC50 = 10000 Funct
Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assayAntagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL516480 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
389 7 1 4 4.0 C1CCC(CC1)NC(=NCC2=CC=CC=C2)SCC3CSC4=NCCN34
CHEMBL191998 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
770 14 10 8 0.6 C1C=CCC(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)CCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)C(=O)NCCC4=CC=C(C=C4)O
CHEMBL364014 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
650 11 9 7 -1.4 C1C=CCC(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)CCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)C(=O)N
CHEMBL191651 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
664 11 9 7 -1.1 C1CC(NC(=O)C(NC(=O)C(NC(=O)C(CC=C1)NC(=O)CCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)C(=O)N
CHEMBL191949 cxcr4_human Human No 5.0 IC50 = 10000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uMInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
678 11 9 7 -0.7 C1CC(C(=O)NC(C(=O)NC(C(=O)NC(CCC=C1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)NC(=O)CCN=C(N)N
CHEMBL506505 cxcr4_human Human No 7.0 IC50 = 109 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
716 11 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL506505 cxcr4_human Human No 7.0 IC50 = 109 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
716 11 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL452864 cxcr4_human Human No 8.0 IC50 = 11 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1088913 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1644074 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
428 7 3 5 2.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)CO)CN)CC4=NC5=CC=CC=C5N4
CHEMBL2042120 cxcr4_human Human No 8.0 IC50 = 11 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)N)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL375990 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL373636 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL452864 cxcr4_human Human No 8.0 IC50 = 11 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1088913 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1644074 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
428 7 3 5 2.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)CO)CN)CC4=NC5=CC=CC=C5N4
CHEMBL2042120 cxcr4_human Human No 8.0 IC50 = 11 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)N)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL375990 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL373636 cxcr4_human Human Yes 8.0 IC50 = 11 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL2347628 cxcr4_human Human Yes 7.0 IC50 = 110 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
650 15 5 3 6.6 C1=CC=C2C(=C1)C=CC=C2NC(=NCCCCN(CCCN=C(N)NC3=CC=CC4=CC=CC=C43)C(=NC5=CC=CC6=CC=CC=C65)N)N
CHEMBL2347631 cxcr4_human Human Yes 7.0 IC50 = 110 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
539 17 6 4 4.1 C1=CC=C2C=C(C=CC2=C1)NC(=NCCCNCCCCNCCCN=C(N)NC3=CC4=CC=CC=C4C=C3)N
CHEMBL1682988 cxcr4_human Human No 7.0 IC50 = 111 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
352 8 1 7 2.2 CC(C1=CC=CC=N1)N(CCCCN)CC2=C(C=CC=N2)C(F)(F)F
CHEMBL1682988 cxcr4_human Human No 7.0 IC50 = 111 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
352 8 1 7 2.2 CC(C1=CC=CC=N1)N(CCCCN)CC2=C(C=CC=N2)C(F)(F)F
CHEMBL3091687 cxcr4_human Human Yes 7.0 IC50 = 112 Funct
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL3091687 cxcr4_human Human Yes 7.0 IC50 = 112 Funct
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL1092324 cxcr4_human Human Yes 6.9 IC50 = 119 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1092324 cxcr4_human Human Yes 6.9 IC50 = 119 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1644088 cxcr4_human Human Yes 7.9 IC50 = 12 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
387 6 2 5 2.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=CO3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1949736 cxcr4_human Human Yes 7.9 IC50 = 12 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1486 29 18 16 2.5 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1644088 cxcr4_human Human Yes 7.9 IC50 = 12 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
387 6 2 5 2.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=CO3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1949736 cxcr4_human Human Yes 7.9 IC50 = 12 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1486 29 18 16 2.5 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL2372993 cxcr4_human Human No 7.9 IC50 = 12.4 Funct
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
2023 46 30 27 -6.7 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL1093137 cxcr4_human Human Yes 6.9 IC50 = 120 Funct
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
489 9 2 5 3.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CNCC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
CHEMBL3091683 cxcr4_human Human Yes 6.9 IC50 = 120 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
456 10 2 5 3.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCNCC3=CC=CC=N3)CC4CC5=CC=CC=C5CN4
CHEMBL3091687 cxcr4_human Human Yes 6.9 IC50 = 120 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 minsDisplacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL1093137 cxcr4_human Human Yes 6.9 IC50 = 120 Funct
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
489 9 2 5 3.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CNCC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
CHEMBL3627789 cxcr4_human Human No 5.9 IC50 = 1200 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
317 7 3 5 0.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CNCCN3
CHEMBL450815 cxcr4_human Human No 5.9 IC50 = 1200 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
573 13 7 4 2.0 CC(C)CC(C(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NCCC3=CNC4=CC=CC=C43)CCCN=C(N)N)N=C(N)N
CHEMBL3608763 cxcr4_human Human Yes 5.9 IC50 = 1200 Funct
Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assayInhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assay
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL3627789 cxcr4_human Human No 5.9 IC50 = 1200 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
317 7 3 5 0.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CNCCN3
CHEMBL450815 cxcr4_human Human No 5.9 IC50 = 1200 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
573 13 7 4 2.0 CC(C)CC(C(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NCCC3=CNC4=CC=CC=C43)CCCN=C(N)N)N=C(N)N
CHEMBL3608763 cxcr4_human Human Yes 5.9 IC50 = 1200 Funct
Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assayInhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assay
332 5 1 3 3.2 C1CN(CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=NC=C4
CHEMBL1644076 cxcr4_human Human Yes 6.9 IC50 = 126 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
442 7 3 6 0.2 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C(=O)O)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1644076 cxcr4_human Human Yes 6.9 IC50 = 126 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
442 7 3 6 0.2 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C(=O)O)CN)CC4=NC5=CC=CC=C5N4
CHEMBL219096 cxcr4_human Human Yes 6.9 IC50 = 128 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL219096 cxcr4_human Human Yes 6.9 IC50 = 128 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL1682862 cxcr4_human Human Yes 6.9 IC50 = 129 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
326 7 2 5 1.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)O
CHEMBL1682862 cxcr4_human Human Yes 6.9 IC50 = 129 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
326 7 2 5 1.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)O
CHEMBL461359 cxcr4_human Human No 7.9 IC50 = 13 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
431 6 1 4 4.5 C1CCC(CC1)NC(=NC2C3CC4CC(C3)CC2C4)SCC5=CSC6=NCCN56
CHEMBL1088913 cxcr4_human Human Yes 7.9 IC50 = 13 Funct
Antagonist activity at CXCR4 (unknown origin)Antagonist activity at CXCR4 (unknown origin)
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1644095 cxcr4_human Human No 7.9 IC50 = 13 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
390 5 2 5 2.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=CSC=C5CN
CHEMBL461359 cxcr4_human Human No 7.9 IC50 = 13 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
431 6 1 4 4.5 C1CCC(CC1)NC(=NC2C3CC4CC(C3)CC2C4)SCC5=CSC6=NCCN56
CHEMBL1644095 cxcr4_human Human No 7.9 IC50 = 13 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
390 5 2 5 2.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=CSC=C5CN
CHEMBL3627790 cxcr4_human Human No 6.9 IC50 = 130 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
394 8 2 5 2.5 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C4=CC=CC=C4
CHEMBL373440 cxcr4_human Human Yes 6.9 IC50 = 130 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
638 10 9 7 -1.2 CC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2
CHEMBL3627790 cxcr4_human Human No 6.9 IC50 = 130 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
394 8 2 5 2.5 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C4=CC=CC=C4
CHEMBL373440 cxcr4_human Human Yes 6.9 IC50 = 130 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
638 10 9 7 -1.2 CC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2
CHEMBL3091677 cxcr4_human Human Yes 5.9 IC50 = 1360 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL1093302 cxcr4_human Human Yes 5.9 IC50 = 1369 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
321 5 2 4 1.7 C1CC(C2=C(C1)C=CC=N2)N(CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1093302 cxcr4_human Human Yes 5.9 IC50 = 1369 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
321 5 2 4 1.7 C1CC(C2=C(C1)C=CC=N2)N(CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1949886 cxcr4_human Human Yes 7.9 IC50 = 14 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1614 34 20 18 1.5 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1949886 cxcr4_human Human Yes 7.9 IC50 = 14 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1614 34 20 18 1.5 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL3091694 cxcr4_human Human Yes 6.9 IC50 = 140 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
407 8 1 4 3.7 CC(C)N1CC2=CC=CC=C2CC1CN(CCCCN)C3CCCC4=C3N=CC=C4
CHEMBL1088867 cxcr4_human Human Yes 5.9 IC50 = 1402 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC(=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1088867 cxcr4_human Human Yes 5.9 IC50 = 1402 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC(=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL506505 cxcr4_rat Rat No 5.8 IC50 = 1440 Funct
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
716 11 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL506505 cxcr4_rat Rat No 5.8 IC50 = 1440 Funct
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
716 11 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL1644078 cxcr4_human Human Yes 7.8 IC50 = 15 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
441 7 3 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C(=O)N)CN)CC4=NC5=CC=CC=C5N4
CHEMBL3091687 cxcr4_human Human Yes 7.8 IC50 = 15 Funct
Antagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assayAntagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL1644078 cxcr4_human Human Yes 7.8 IC50 = 15 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
441 7 3 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C(=O)N)CN)CC4=NC5=CC=CC=C5N4
CHEMBL3357471 cxcr4_human Human No 4.8 IC50 = 15100 Funct
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
478 13 4 3 2.4 C1=CC=C2C=C(C=CC2=C1)CCC3C=CC(C(=O)N3CCCCN=C(N)N)CCCCN=C(N)N
CHEMBL3357471 cxcr4_human Human No 4.8 IC50 = 15100 Funct
Inhibition of CXCR4 (unknown origin)Inhibition of CXCR4 (unknown origin)
478 13 4 3 2.4 C1=CC=C2C=C(C=CC2=C1)CCC3C=CC(C(=O)N3CCCCN=C(N)N)CCCCN=C(N)N
CHEMBL462588 cxcr4_human Human No 5.8 IC50 = 1533 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
435 7 1 4 5.3 CC(C)(C)C1CCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL462588 cxcr4_human Human No 5.8 IC50 = 1533 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
435 7 1 4 5.3 CC(C)(C)C1CCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL375993 cxcr4_human Human Yes 6.8 IC50 = 157 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL375993 cxcr4_human Human Yes 6.8 IC50 = 157 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL1094864 cxcr4_human Human Yes 7.8 IC50 = 16 Funct
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
418 7 1 5 2.4 CN(C)CC(=O)NCC1=C(N=CC2=CC=CC=C21)CN(C)C3CCCC4=C3N=CC=C4
CHEMBL2042232 cxcr4_human Human No 7.8 IC50 = 16 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2371850 cxcr4_human Human No 7.8 IC50 = 16 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
674 10 9 8 0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCN)CC4=CC=C(C=C4)O
CHEMBL1094864 cxcr4_human Human Yes 7.8 IC50 = 16 Funct
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
418 7 1 5 2.4 CN(C)CC(=O)NCC1=C(N=CC2=CC=CC=C21)CN(C)C3CCCC4=C3N=CC=C4
CHEMBL2042232 cxcr4_human Human No 7.8 IC50 = 16 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2371850 cxcr4_human Human No 7.8 IC50 = 16 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
674 10 9 8 0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCN)CC4=CC=C(C=C4)O
CHEMBL2012652 cxcr4_human Human No 7.8 IC50 = 16.5 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2939 83 47 41 -6.8 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012652 cxcr4_human Human No 7.8 IC50 = 16.5 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2939 83 47 41 -6.8 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL1682997 cxcr4_human Human Yes 7.8 IC50 = 16.6 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
323 8 2 4 2.0 CC(C1=CC=CC=N1)N(CCCCN)CC2=NC3=CC=CC=C3N2
CHEMBL1682997 cxcr4_human Human Yes 7.8 IC50 = 16.6 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
323 8 2 4 2.0 CC(C1=CC=CC=N1)N(CCCCN)CC2=NC3=CC=CC=C3N2
CHEMBL1089845 cxcr4_human Human Yes 6.8 IC50 = 160 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
347 6 2 4 2.0 C1CC(C2=C(C1)C=CC=N2)N(CC=CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1644083 cxcr4_human Human Yes 6.8 IC50 = 160 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
399 6 2 5 1.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=CN=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1089845 cxcr4_human Human Yes 6.8 IC50 = 160 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
347 6 2 4 2.0 C1CC(C2=C(C1)C=CC=N2)N(CC=CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1644083 cxcr4_human Human Yes 6.8 IC50 = 160 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
399 6 2 5 1.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=CN=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL191942 cxcr4_human Human No 5.8 IC50 = 1600 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
671 8 7 7 1.5 C1CC2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N
CHEMBL191942 cxcr4_human Human No 5.8 IC50 = 1600 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
671 8 7 7 1.5 C1CC2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N
CHEMBL1682861 cxcr4_human Human Yes 5.8 IC50 = 1621 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
354 9 1 5 1.4 COCC1=CC=CC(=N1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL1682861 cxcr4_human Human Yes 5.8 IC50 = 1621 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
354 9 1 5 1.4 COCC1=CC=CC(=N1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL219075 cxcr4_human Human Yes 6.8 IC50 = 167 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
618 10 9 8 -2.6 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(CC(=O)N1)C)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL219075 cxcr4_human Human Yes 6.8 IC50 = 167 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
618 10 9 8 -2.6 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(CC(=O)N1)C)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL1949890 cxcr4_human Human No 7.8 IC50 = 17 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2128 49 25 30 -7.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL1949890 cxcr4_human Human No 7.8 IC50 = 17 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2128 49 25 30 -7.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CC(CC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL2012529 cxcr4_human Human No 6.8 IC50 = 170 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2783 75 42 39 -5.8 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL387120 cxcr4_human Human Yes 6.8 IC50 = 170 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL2012529 cxcr4_human Human No 6.8 IC50 = 170 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2783 75 42 39 -5.8 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL387120 cxcr4_human Human Yes 6.8 IC50 = 170 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL508684 cxcr4_human Human No 5.8 IC50 = 1700 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
607 13 7 4 2.3 C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC4=CNC5=CC=CC=C54)CCCN=C(N)N)N=C(N)N
CHEMBL508684 cxcr4_human Human No 5.8 IC50 = 1700 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
607 13 7 4 2.3 C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC4=CNC5=CC=CC=C54)CCCN=C(N)N)N=C(N)N
CHEMBL460299 cxcr4_human Human No 6.8 IC50 = 173 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
365 6 1 4 3.4 C1CCC(CC1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL460299 cxcr4_human Human No 6.8 IC50 = 173 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
365 6 1 4 3.4 C1CCC(CC1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL1682989 cxcr4_human Human No 7.8 IC50 = 18 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
341 9 1 4 3.0 CC(C1=CC=CC=N1)N(CCCCN)CC2=C(C=CC=N2)C(C)(C)C
CHEMBL1682854 cxcr4_human Human Yes 7.8 IC50 = 18 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=C(N=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL3627799 cxcr4_human Human No 7.8 IC50 = 18 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
452 10 2 6 2.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)OCC4=CC=CC=C4
CHEMBL1682989 cxcr4_human Human No 7.8 IC50 = 18 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
341 9 1 4 3.0 CC(C1=CC=CC=N1)N(CCCCN)CC2=C(C=CC=N2)C(C)(C)C
CHEMBL1682854 cxcr4_human Human Yes 7.8 IC50 = 18 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=C(N=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL3627799 cxcr4_human Human No 7.8 IC50 = 18 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
452 10 2 6 2.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)OCC4=CC=CC=C4
CHEMBL2113070 cxcr4_human Human No 6.8 IC50 = 180 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
713 12 9 7 1.2 C1C=CC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL3091686 cxcr4_human Human Yes 6.8 IC50 = 180 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
436 8 2 4 2.7 CN(C)C(=O)NCCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL2347630 cxcr4_human Human Yes 6.8 IC50 = 180 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
539 17 6 4 4.1 C1=CC=C2C(=C1)C=CC=C2NC(=NCCCNCCCCNCCCN=C(N)NC3=CC=CC4=CC=CC=C43)N
CHEMBL2113070 cxcr4_human Human No 6.8 IC50 = 180 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
713 12 9 7 1.2 C1C=CC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL1682991 cxcr4_human Human No 6.7 IC50 = 183 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
298 8 1 4 1.8 CC1=NC(=CC=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL1682991 cxcr4_human Human No 6.7 IC50 = 183 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
298 8 1 4 1.8 CC1=NC(=CC=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL516630 cxcr4_human Human No 6.7 IC50 = 185 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
393 6 1 4 4.3 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCCN34
CHEMBL516630 cxcr4_human Human No 6.7 IC50 = 185 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
393 6 1 4 4.3 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCCN34
CHEMBL518041 cxcr4_human Human No 5.7 IC50 = 1873 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
431 6 1 4 4.8 C1CCC(CC1)N=C(NC23CC4CC(C2)CC(C4)C3)SCC5=CSC6=NCCN56
CHEMBL518041 cxcr4_human Human No 5.7 IC50 = 1873 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
431 6 1 4 4.8 C1CCC(CC1)N=C(NC23CC4CC(C2)CC(C4)C3)SCC5=CSC6=NCCN56
CHEMBL1682859 cxcr4_human Human Yes 7.7 IC50 = 19 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
338 7 1 4 2.5 CC1=CC(=C(N=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3)C
CHEMBL1949735 cxcr4_human Human No 7.7 IC50 = 19 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1501 29 17 16 2.8 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=O)N
CHEMBL2180085 cxcr4_human Human No 7.7 IC50 = 19 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 11 9 8 0.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN)CC4=CC=C(C=C4)O
CHEMBL2220487 cxcr4_human Human No 7.7 IC50 = 19 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 11 9 8 0.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN)CC4=CC=C(C=C4)O
CHEMBL3091687 cxcr4_human Human Yes 7.7 IC50 = 19 Funct
Antagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP productionAntagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP production
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL1682859 cxcr4_human Human Yes 7.7 IC50 = 19 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
338 7 1 4 2.5 CC1=CC(=C(N=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3)C
CHEMBL1949735 cxcr4_human Human No 7.7 IC50 = 19 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1501 29 17 16 2.8 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=O)N
CHEMBL2180085 cxcr4_human Human No 7.7 IC50 = 19 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 11 9 8 0.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN)CC4=CC=C(C=C4)O
CHEMBL2220487 cxcr4_human Human No 7.7 IC50 = 19 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 11 9 8 0.6 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN)CC4=CC=C(C=C4)O
CHEMBL2372985 cxcr4_human Human No 7.7 IC50 = 19.3 Funct
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
2052 46 31 27 -7.4 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL1644080 cxcr4_human Human Yes 7.7 IC50 = 19.8 Funct
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
399 6 2 5 1.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(N=CC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1644080 cxcr4_human Human Yes 7.7 IC50 = 19.8 Funct
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
399 6 2 5 1.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(N=CC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1092302 cxcr4_human Human Yes 6.7 IC50 = 190 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
364 8 2 4 2.9 CNCCCCN(CC1=NC2=CC=CC=C2N1)C3CCCC4=C3N=CC=C4
CHEMBL3627792 cxcr4_human Human Yes 6.7 IC50 = 190 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
408 9 2 5 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)CC4=CC=CC=C4
CHEMBL1092302 cxcr4_human Human Yes 6.7 IC50 = 190 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
364 8 2 4 2.9 CNCCCCN(CC1=NC2=CC=CC=C2N1)C3CCCC4=C3N=CC=C4
CHEMBL3627792 cxcr4_human Human Yes 6.7 IC50 = 190 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
408 9 2 5 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)CC4=CC=CC=C4
CHEMBL2347629 cxcr4_human Human Yes 6.7 IC50 = 190 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
650 15 5 3 6.6 C1=CC=C2C=C(C=CC2=C1)NC(=NCCCCN(CCCN=C(N)NC3=CC4=CC=CC=C4C=C3)C(=NC5=CC6=CC=CC=C6C=C5)N)N
CHEMBL3627858 cxcr4_human Human No 8.7 IC50 = 2 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
458 9 2 7 1.5 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC=CC=C4
CHEMBL3627793 cxcr4_human Human No 8.7 IC50 = 2 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
422 8 2 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)C4=CC=CC=C4
CHEMBL3627862 cxcr4_human Human No 8.7 IC50 = 2 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
492 9 2 7 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC=C(C=C4)Cl
CHEMBL1949730 cxcr4_human Human Yes 8.7 IC50 = 2 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL1949739 cxcr4_human Human Yes 8.7 IC50 = 2 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1570 35 18 16 5.4 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL3627858 cxcr4_human Human No 8.7 IC50 = 2 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
458 9 2 7 1.5 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC=CC=C4
CHEMBL3627793 cxcr4_human Human No 8.7 IC50 = 2 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
422 8 2 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)C4=CC=CC=C4
CHEMBL3627862 cxcr4_human Human No 8.7 IC50 = 2 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
492 9 2 7 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC=C(C=C4)Cl
CHEMBL1949730 cxcr4_human Human Yes 8.7 IC50 = 2 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL1949739 cxcr4_human Human Yes 8.7 IC50 = 2 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1570 35 18 16 5.4 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL518501 cxcr4_human Human No 8.7 IC50 = 2.1 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
435 6 1 4 5.6 CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCCC3)NC4CCCCCC4)C
CHEMBL1242210 cxcr4_mouse Mouse Yes 8.7 IC50 = 2.1 Funct
Antagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL518501 cxcr4_human Human No 8.7 IC50 = 2.1 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
435 6 1 4 5.6 CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCCC3)NC4CCCCCC4)C
CHEMBL1242210 cxcr4_mouse Mouse Yes 8.7 IC50 = 2.1 Funct
Antagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL2012526 cxcr4_human Human No 8.7 IC50 = 2.2 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2782 76 43 39 -5.7 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCC2C(=O)CC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N2)CCCNC(=N)N)CC4=CC=C(C=C4)O)CCCCN)CCCCN)CCCNC(=N)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012526 cxcr4_human Human No 8.7 IC50 = 2.2 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2782 76 43 39 -5.7 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCC2C(=O)CC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N2)CCCNC(=N)N)CC4=CC=C(C=C4)O)CCCCN)CCCCN)CCCNC(=N)N)CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL1242210 cxcr4_human Human Yes 8.6 IC50 = 2.4 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_human Human Yes 8.6 IC50 = 2.4 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1682992 cxcr4_human Human No 7.7 IC50 = 20 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
312 8 1 4 2.1 CC1=CC(=C(N=C1)CN(CCCCN)C(C)C2=CC=CC=N2)C
CHEMBL1682992 cxcr4_human Human No 7.7 IC50 = 20 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
312 8 1 4 2.1 CC1=CC(=C(N=C1)CN(CCCCN)C(C)C2=CC=CC=N2)C
CHEMBL3091694 cxcr4_human Human Yes 7.7 IC50 = 20 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
407 8 1 4 3.7 CC(C)N1CC2=CC=CC=C2CC1CN(CCCCN)C3CCCC4=C3N=CC=C4
CHEMBL3091693 cxcr4_human Human Yes 7.7 IC50 = 20 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
379 7 1 4 2.9 CN1CC2=CC=CC=C2CC1CN(CCCCN)C3CCCC4=C3N=CC=C4
CHEMBL1093149 cxcr4_human Human Yes 6.7 IC50 = 206 Funct
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1093149 cxcr4_human Human Yes 6.7 IC50 = 206 Funct
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1644075 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
442 8 2 5 2.6 COCC1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL1644089 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
387 6 2 5 2.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(OC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1644094 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
399 6 2 5 1.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(N=CC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL376219 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL1644075 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
442 8 2 5 2.6 COCC1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL1644089 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
387 6 2 5 2.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(OC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1644094 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
399 6 2 5 1.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(N=CC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL376219 cxcr4_human Human Yes 7.7 IC50 = 21 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL2012531 cxcr4_human Human No 7.7 IC50 = 21.2 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3027 85 48 43 -8.2 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012531 cxcr4_human Human No 7.7 IC50 = 21.2 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3027 85 48 43 -8.2 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012530 cxcr4_human Human No 7.7 IC50 = 21.7 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2940 82 46 41 -6.9 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012530 cxcr4_human Human No 7.7 IC50 = 21.7 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2940 82 46 41 -6.9 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL3091685 cxcr4_human Human Yes 6.7 IC50 = 210 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
408 8 3 4 2.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCNC(=O)N)CC3CC4=CC=CC=C4CN3
CHEMBL3627863 cxcr4_human Human No 4.7 IC50 = 21000 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
437 8 3 5 1.6 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)NC4=CC=CC=C4
CHEMBL2113067 cxcr4_human Human No 4.7 IC50 = 21000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
713 12 9 7 1.2 C1C(=O)NC(C(=O)NC(C(=O)NC(C=CC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL3627863 cxcr4_human Human No 4.7 IC50 = 21000 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
437 8 3 5 1.6 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)NC4=CC=CC=C4
CHEMBL2113067 cxcr4_human Human No 4.7 IC50 = 21000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
713 12 9 7 1.2 C1C(=O)NC(C(=O)NC(C(=O)NC(C=CC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL1644070 cxcr4_human Human Yes 6.7 IC50 = 219 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
416 6 2 5 3.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)F)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1644070 cxcr4_human Human Yes 6.7 IC50 = 219 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
416 6 2 5 3.1 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)F)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1088913 cxcr4_human Human Yes 7.7 IC50 = 22 Funct
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1088913 cxcr4_human Human Yes 7.7 IC50 = 22 Funct
Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL2372994 cxcr4_human Human No 7.6 IC50 = 22.8 Funct
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
2052 46 31 28 -9.3 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2347626 cxcr4_human Human Yes 6.7 IC50 = 220 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
482 13 5 3 4.2 C1=CC=C2C(=C1)C=CC=C2NC(=NCCCCNCCCN=C(N)NC3=CC=CC4=CC=CC=C43)N
CHEMBL450041 cxcr4_human Human No 5.7 IC50 = 2200 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
573 13 7 4 2.0 CC(C)CC(C(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NCCC3=CNC4=CC=CC=C43)CCCN=C(N)N)N=C(N)N
CHEMBL3581262 cxcr4_human Human Yes 5.7 IC50 = 2200 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL450041 cxcr4_human Human No 5.7 IC50 = 2200 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
573 13 7 4 2.0 CC(C)CC(C(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NCCC3=CNC4=CC=CC=C43)CCCN=C(N)N)N=C(N)N
CHEMBL3581262 cxcr4_human Human Yes 5.7 IC50 = 2200 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL516480 cxcr4_human Human No 5.7 IC50 = 2220 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
389 7 1 4 4.0 C1CCC(CC1)NC(=NCC2=CC=CC=C2)SCC3CSC4=NCCN34
CHEMBL516480 cxcr4_human Human No 5.7 IC50 = 2220 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
389 7 1 4 4.0 C1CCC(CC1)NC(=NCC2=CC=CC=C2)SCC3CSC4=NCCN34
CHEMBL1682986 cxcr4_human Human No 7.6 IC50 = 23 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
298 8 1 4 1.7 CC1=C(N=CC=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL3627859 cxcr4_human Human No 7.6 IC50 = 23 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
458 9 2 7 1.5 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC=CC=C4
CHEMBL374421 cxcr4_human Human Yes 7.6 IC50 = 23 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N
CHEMBL1682986 cxcr4_human Human No 7.6 IC50 = 23 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
298 8 1 4 1.7 CC1=C(N=CC=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL3627859 cxcr4_human Human No 7.6 IC50 = 23 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
458 9 2 7 1.5 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC=CC=C4
CHEMBL374421 cxcr4_human Human Yes 7.6 IC50 = 23 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N
CHEMBL2373001 cxcr4_human Human No 7.6 IC50 = 23.5 Funct
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
2051 46 31 27 -7.7 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCN=C(N)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)N)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL3627791 cxcr4_human Human Yes 6.6 IC50 = 230 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
408 9 2 5 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)CC4=CC=CC=C4
CHEMBL192685 cxcr4_human Human No 6.6 IC50 = 230 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL384429 cxcr4_human Human Yes 6.6 IC50 = 230 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL3627791 cxcr4_human Human Yes 6.6 IC50 = 230 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
408 9 2 5 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)CC4=CC=CC=C4
CHEMBL192685 cxcr4_human Human No 6.6 IC50 = 230 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL384429 cxcr4_human Human Yes 6.6 IC50 = 230 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL3581261 cxcr4_human Human Yes 4.6 IC50 = 23000 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL3581261 cxcr4_human Human Yes 4.6 IC50 = 23000 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL193217 cxcr4_human Human No 7.6 IC50 = 24 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
716 11 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL193217 cxcr4_human Human No 7.6 IC50 = 24 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
716 11 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2012653 cxcr4_human Human No 7.6 IC50 = 24.9 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3097 88 50 44 -8.4 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012653 cxcr4_human Human No 7.6 IC50 = 24.9 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3097 88 50 44 -8.4 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL1644096 cxcr4_human Human No 7.6 IC50 = 25 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
373 5 2 5 2.3 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=COC=C5CN
CHEMBL508054 cxcr4_human Human No 7.6 IC50 = 25 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
407 6 1 4 5.0 C1CCCC(CC1)NC(=NC2CCCCCC2)SCC3=CSC4=NCCN34
CHEMBL1644096 cxcr4_human Human No 7.6 IC50 = 25 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
373 5 2 5 2.3 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=COC=C5CN
CHEMBL508054 cxcr4_human Human No 7.6 IC50 = 25 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
407 6 1 4 5.0 C1CCCC(CC1)NC(=NC2CCCCCC2)SCC3=CSC4=NCCN34
CHEMBL375850 cxcr4_human Human Yes 6.6 IC50 = 250 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL1089434 cxcr4_human Human Yes 6.6 IC50 = 250 Funct
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
489 9 2 5 3.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CNCC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
CHEMBL3091678 cxcr4_human Human Yes 6.6 IC50 = 250 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3C4=CC=CC=C4CCN3
CHEMBL375850 cxcr4_human Human Yes 6.6 IC50 = 250 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL1089434 cxcr4_human Human Yes 6.6 IC50 = 250 Funct
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
489 9 2 5 3.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CNCC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
CHEMBL2029610 cxcr4_human Human No 5.6 IC50 = 2500 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
741 12 9 7 1.0 CC1=C(C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)C
CHEMBL2029610 cxcr4_human Human No 5.6 IC50 = 2500 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
741 12 9 7 1.0 CC1=C(C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)C
CHEMBL3627788 cxcr4_human Human No 6.6 IC50 = 255 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
317 7 3 5 0.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CNCCN3
CHEMBL3627788 cxcr4_human Human No 6.6 IC50 = 255 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
317 7 3 5 0.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CNCCN3
CHEMBL374862 cxcr4_human Human Yes 6.6 IC50 = 256 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL374862 cxcr4_human Human Yes 6.6 IC50 = 256 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL1242210 cxcr4_human Human Yes 7.6 IC50 = 26.6 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_human Human Yes 7.6 IC50 = 26.6 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL2347623 cxcr4_human Human Yes 6.6 IC50 = 260 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
382 13 5 3 1.7 C1=CC=C(C=C1)NC(=NCCCCNCCCN=C(N)NC2=CC=CC=C2)N
CHEMBL1682863 cxcr4_human Human Yes 7.6 IC50 = 27 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
325 7 2 5 1.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)N
CHEMBL454896 cxcr4_human Human No 7.6 IC50 = 27 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
435 6 1 4 6.1 C1CCCC(CCC1)NC(=NC2CCCCCCC2)SCC3=CSC4=NCCN34
CHEMBL1682863 cxcr4_human Human Yes 7.6 IC50 = 27 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
325 7 2 5 1.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)N
CHEMBL454896 cxcr4_human Human No 7.6 IC50 = 27 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
435 6 1 4 6.1 C1CCCC(CCC1)NC(=NC2CCCCCCC2)SCC3=CSC4=NCCN34
CHEMBL426635 cxcr4_human Human No 6.6 IC50 = 270 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 10 9 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CC(=O)N)CC4=CC=C(C=C4)O
CHEMBL426635 cxcr4_human Human No 6.6 IC50 = 270 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 10 9 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CC(=O)N)CC4=CC=C(C=C4)O
CHEMBL480502 cxcr4_human Human No 5.6 IC50 = 2700 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
520 10 4 3 4.6 C1=CC=C2C=C(C=CC2=C1)CCN3C4=C(C=C(C=C4)NC(=O)CCC5=CC=C(C=C5)O)C=C3CCN=C(N)N
CHEMBL480502 cxcr4_human Human No 5.6 IC50 = 2700 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
520 10 4 3 4.6 C1=CC=C2C=C(C=CC2=C1)CCN3C4=C(C=C(C=C4)NC(=O)CCC5=CC=C(C=C5)O)C=C3CCN=C(N)N
CHEMBL1093008 cxcr4_human Human Yes 7.6 IC50 = 28 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC=C3CN)CC4=NC5=CC=CC=C5N4
CHEMBL460298 cxcr4_human Human No 7.6 IC50 = 28 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
407 6 1 4 5.0 C1CCCC(CCC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL541728 cxcr4_human Human No 7.6 IC50 = 28 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
393 6 1 4 4.4 C1CCCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1093008 cxcr4_human Human Yes 7.6 IC50 = 28 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC=C3CN)CC4=NC5=CC=CC=C5N4
CHEMBL460298 cxcr4_human Human No 7.6 IC50 = 28 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
407 6 1 4 5.0 C1CCCC(CCC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL541728 cxcr4_human Human No 7.6 IC50 = 28 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
393 6 1 4 4.4 C1CCCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL2012532 cxcr4_human Human No 7.6 IC50 = 28.3 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2619 72 41 37 -6.7 CC(C)CC(C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C1CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC1)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCCN)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)N
CHEMBL2012532 cxcr4_human Human No 7.6 IC50 = 28.3 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2619 72 41 37 -6.7 CC(C)CC(C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C1CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC1)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCCN)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)N
CHEMBL2347624 cxcr4_human Human Yes 6.6 IC50 = 280 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
500 15 5 3 2.9 C1=CC=C(C=C1)NC(=NCCCCN(CCCN=C(N)NC2=CC=CC=C2)C(=NC3=CC=CC=C3)N)N
CHEMBL452864 cxcr4_rat Rat No 7.5 IC50 = 29 Funct
Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migrationActivity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL452864 cxcr4_rat Rat No 7.5 IC50 = 29 Funct
Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migrationActivity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL2029613 cxcr4_human Human Yes 6.5 IC50 = 290 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL3091684 cxcr4_human Human Yes 6.5 IC50 = 290 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
407 8 2 4 2.7 CC(=O)NCCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL2029613 cxcr4_human Human Yes 6.5 IC50 = 290 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL3627792 cxcr4_human Human Yes 5.5 IC50 = 2920 Funct
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
408 9 2 5 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)CC4=CC=CC=C4
CHEMBL3627792 cxcr4_human Human Yes 5.5 IC50 = 2920 Funct
Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
408 9 2 5 2.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)CC4=CC=CC=C4
CHEMBL1090509 cxcr4_human Human Yes 4.5 IC50 = 29200 Funct
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
489 9 2 5 3.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CNCC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
CHEMBL1090509 cxcr4_human Human Yes 4.5 IC50 = 29200 Funct
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometryInhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
489 9 2 5 3.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=C(C=C3)CNCC4=CC=CC=N4)CC5=NC6=CC=CC=C6N5
CHEMBL1949738 cxcr4_human Human Yes 8.5 IC50 = 3 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1542 33 18 16 4.3 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL218806 cxcr4_human Human Yes 8.5 IC50 = 3 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N
CHEMBL3091687 cxcr4_human Human Yes 8.5 IC50 = 3 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL3091685 cxcr4_human Human Yes 8.5 IC50 = 3 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
408 8 3 4 2.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCNC(=O)N)CC3CC4=CC=CC=C4CN3
CHEMBL1949738 cxcr4_human Human Yes 8.5 IC50 = 3 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1542 33 18 16 4.3 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL218806 cxcr4_human Human Yes 8.5 IC50 = 3 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C1=O)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N
CHEMBL508054 cxcr4_human Human No 8.5 IC50 = 3.1 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
407 6 1 4 5.0 C1CCCC(CC1)NC(=NC2CCCCCC2)SCC3=CSC4=NCCN34
CHEMBL508054 cxcr4_human Human No 8.5 IC50 = 3.1 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
407 6 1 4 5.0 C1CCCC(CC1)NC(=NC2CCCCCC2)SCC3=CSC4=NCCN34
CHEMBL1242210 cxcr4_human Human Yes 8.5 IC50 = 3.4 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_human Human Yes 8.5 IC50 = 3.4 Funct
Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assayAntagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1096504 cxcr4_human Human Yes 8.5 IC50 = 3.4 Funct
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
389 7 0 4 3.9 CN(C)CCCC1=C(N=CC2=CC=CC=C21)CN(C)C3CCCC4=C3N=CC=C4
CHEMBL1096504 cxcr4_human Human Yes 8.5 IC50 = 3.4 Funct
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
389 7 0 4 3.9 CN(C)CCCC1=C(N=CC2=CC=CC=C21)CN(C)C3CCCC4=C3N=CC=C4
CHEMBL438934 cxcr4_human Human No 8.4 IC50 = 3.9 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
1925 46 29 28 -10.8 CC(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC3=CC=C(C=C3)O)CCCN=C(N)N)CCCCN)CCCCN)CC4=CC=C(C=C4)OC)CCCN=C(N)N)CCCNC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N
CHEMBL438934 cxcr4_human Human No 8.4 IC50 = 3.9 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
1925 46 29 28 -10.8 CC(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC3=CC=C(C=C3)O)CCCN=C(N)N)CCCCN)CCCCN)CC4=CC=C(C=C4)OC)CCCN=C(N)N)CCCNC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N
CHEMBL3091681 cxcr4_human Human Yes 7.5 IC50 = 30 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
393 8 1 4 3.4 CN(C)CCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL2347635 cxcr4_human Human Yes 6.5 IC50 = 300 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
875 21 6 4 9.0 C1=CC=C2C=C(C=CC2=C1)NC(=NCCCN(CCCCN(CCCN=C(N)NC3=CC4=CC=CC=C4C=C3)C(=NC5=CC6=CC=CC=C6C=C5)N)C(=NC7=CC8=CC=CC=C8C=C7)N)N
CHEMBL443092 cxcr4_human Human No 5.5 IC50 = 3000 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
571 11 7 4 1.1 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC4=CNC5=CC=CC=C54)CCCN=C(N)N)C(=N)N
CHEMBL472323 cxcr4_human Human No 5.5 IC50 = 3000 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
517 11 7 4 0.3 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC4=C(N3CCCN=C(N)N)C=CC(=C4)NC(=O)CN=C(N)N
CHEMBL443092 cxcr4_human Human No 5.5 IC50 = 3000 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
571 11 7 4 1.1 C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC4=CNC5=CC=CC=C54)CCCN=C(N)N)C(=N)N
CHEMBL472323 cxcr4_human Human No 5.5 IC50 = 3000 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
517 11 7 4 0.3 C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC4=C(N3CCCN=C(N)N)C=CC(=C4)NC(=O)CN=C(N)N
CHEMBL518041 cxcr4_human Human No 6.5 IC50 = 304 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
431 6 1 4 4.8 C1CCC(CC1)N=C(NC23CC4CC(C2)CC(C4)C3)SCC5=CSC6=NCCN56
CHEMBL518041 cxcr4_human Human No 6.5 IC50 = 304 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
431 6 1 4 4.8 C1CCC(CC1)N=C(NC23CC4CC(C2)CC(C4)C3)SCC5=CSC6=NCCN56
CHEMBL1949888 cxcr4_human Human No 7.5 IC50 = 31 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2014 45 23 28 -5.9 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CC(CC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL1949888 cxcr4_human Human No 7.5 IC50 = 31 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2014 45 23 28 -5.9 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CC(CC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL2096822 cxcr4_human Human No 4.5 IC50 = 31000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
699 12 9 7 1.5 C1=CC=C2C=C(C=CC2=C1)CC3C=CC(NC(=O)C(NC(=O)C(NC(=O)NC3=O)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL2096822 cxcr4_human Human No 4.5 IC50 = 31000 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
699 12 9 7 1.5 C1=CC=C2C=C(C=CC2=C1)CC3C=CC(NC(=O)C(NC(=O)C(NC(=O)NC3=O)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL2113071 cxcr4_human Human No 7.5 IC50 = 32 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
716 12 10 8 0.3 C1C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL2113071 cxcr4_human Human No 7.5 IC50 = 32 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
716 12 10 8 0.3 C1C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL1092629 cxcr4_human Human Yes 5.5 IC50 = 3200 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
363 6 2 4 1.4 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C(=O)CCCN
CHEMBL1092629 cxcr4_human Human Yes 5.5 IC50 = 3200 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
363 6 2 4 1.4 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C(=O)CCCN
CHEMBL1949741 cxcr4_human Human Yes 7.5 IC50 = 33 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1654 41 18 16 8.6 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL192368 cxcr4_human Human No 7.5 IC50 = 33 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
744 13 10 8 0.4 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL1949741 cxcr4_human Human Yes 7.5 IC50 = 33 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1654 41 18 16 8.6 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL192368 cxcr4_human Human No 7.5 IC50 = 33 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
744 13 10 8 0.4 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2029608 cxcr4_human Human No 6.5 IC50 = 330 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
713 12 9 7 1.2 C1C(=O)NC(C=CC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2029608 cxcr4_human Human No 6.5 IC50 = 330 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
713 12 9 7 1.2 C1C(=O)NC(C=CC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2042234 cxcr4_human Human No 6.5 IC50 = 334 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)N)CC4=CC=C(C=C4)O
CHEMBL2042234 cxcr4_human Human No 6.5 IC50 = 334 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)N)CC4=CC=C(C=C4)O
CHEMBL1682856 cxcr4_human Human Yes 7.5 IC50 = 35 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=CN=C(C=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL3627798 cxcr4_human Human No 7.5 IC50 = 35 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
412 8 2 6 1.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)C4=CC=CO4
CHEMBL1682856 cxcr4_human Human Yes 7.5 IC50 = 35 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=CN=C(C=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL3627798 cxcr4_human Human No 7.5 IC50 = 35 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
412 8 2 6 1.2 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)C4=CC=CO4
CHEMBL3091687 cxcr4_human Human Yes 7.5 IC50 = 35 Funct
Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionAntagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL1682998 cxcr4_human Human No 7.5 IC50 = 35.8 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
298 8 1 4 1.7 CC1=C(N=CC=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL1682998 cxcr4_human Human No 7.5 IC50 = 35.8 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
298 8 1 4 1.7 CC1=C(N=CC=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL219135 cxcr4_human Human Yes 6.5 IC50 = 350 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 -0.1 C1CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL3091689 cxcr4_human Human Yes 6.5 IC50 = 350 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
456 9 1 5 3.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=CN=CC=C5
CHEMBL219135 cxcr4_human Human Yes 6.5 IC50 = 350 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 -0.1 C1CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL452868 cxcr4_human Human No 5.5 IC50 = 3575 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
393 6 0 4 4.1 CN(C1CCCCC1)C(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL452868 cxcr4_human Human No 5.5 IC50 = 3575 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
393 6 0 4 4.1 CN(C1CCCCC1)C(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1088913 cxcr4_human Human Yes 7.4 IC50 = 36 Funct
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1088913 cxcr4_human Human Yes 7.4 IC50 = 36 Funct
Binding affinity to human CXCR4 expressed in HEK293 cellsBinding affinity to human CXCR4 expressed in HEK293 cells
349 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL3779982 cxcr4_human Human Yes 7.4 IC50 = 36.2 Funct
Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount methodDisplacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
502 12 5 7 5.5 C1CCC(CC1)NCCCNCC2=CC=C(C=C2)CNC3=NC4=CC=CC=C4C(=N3)NC5CCNCC5
CHEMBL1949730 cxcr4_human Human Yes 7.4 IC50 = 37 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL1949730 cxcr4_human Human Yes 7.4 IC50 = 37 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL446868 cxcr4_human Human No 5.4 IC50 = 3700 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
607 13 7 4 2.3 C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC4=CNC5=CC=CC=C54)CCCN=C(N)N)N=C(N)N
CHEMBL446868 cxcr4_human Human No 5.4 IC50 = 3700 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
607 13 7 4 2.3 C1=CC=C(C=C1)CC(C(=O)NC2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC4=CNC5=CC=CC=C54)CCCN=C(N)N)N=C(N)N
CHEMBL460299 cxcr4_human Human No 6.4 IC50 = 372 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
365 6 1 4 3.4 C1CCC(CC1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL460299 cxcr4_human Human No 6.4 IC50 = 372 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
365 6 1 4 3.4 C1CCC(CC1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL1682858 cxcr4_human Human Yes 7.4 IC50 = 38 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
338 7 1 4 2.5 CC1=CC(=NC(=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3)C
CHEMBL1682858 cxcr4_human Human Yes 7.4 IC50 = 38 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
338 7 1 4 2.5 CC1=CC(=NC(=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3)C
CHEMBL2012651 cxcr4_human Human No 7.4 IC50 = 38.6 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2782 76 43 39 -5.7 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012651 cxcr4_human Human No 7.4 IC50 = 38.6 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2782 76 43 39 -5.7 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2347634 cxcr4_human Human Yes 6.4 IC50 = 380 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
875 21 6 4 9.0 C1=CC=C2C(=C1)C=CC=C2NC(=NCCCN(CCCCN(CCCN=C(N)NC3=CC=CC4=CC=CC=C43)C(=NC5=CC=CC6=CC=CC=C65)N)C(=NC7=CC=CC8=CC=CC=C87)N)N
CHEMBL454689 cxcr4_human Human No 5.4 IC50 = 3835 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
351 6 1 4 2.8 C1CCC(C1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL454689 cxcr4_human Human No 5.4 IC50 = 3835 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
351 6 1 4 2.8 C1CCC(C1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL1644077 cxcr4_human Human Yes 7.4 IC50 = 39 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
456 8 2 6 2.8 COC(=O)C1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL3627861 cxcr4_human Human No 7.4 IC50 = 39 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
514 9 2 8 2.9 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC5=CC=CC=C5S4
CHEMBL1949889 cxcr4_human Human No 7.4 IC50 = 39 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2114 48 25 30 -7.1 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CC(C(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL1644077 cxcr4_human Human Yes 7.4 IC50 = 39 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
456 8 2 6 2.8 COC(=O)C1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL3627861 cxcr4_human Human No 7.4 IC50 = 39 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
514 9 2 8 2.9 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC5=CC=CC=C5S4
CHEMBL3091693 cxcr4_human Human Yes 7.4 IC50 = 39 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
379 7 1 4 2.9 CN1CC2=CC=CC=C2CC1CN(CCCCN)C3CCCC4=C3N=CC=C4
CHEMBL1949889 cxcr4_human Human No 7.4 IC50 = 39 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2114 48 25 30 -7.1 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CC(C(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL1949734 cxcr4_human Human Yes 8.4 IC50 = 4 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1500 30 18 16 2.9 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1949737 cxcr4_human Human Yes 8.4 IC50 = 4 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1514 31 18 16 3.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1949740 cxcr4_human Human No 8.4 IC50 = 4 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1613 37 17 16 6.9 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=O)N
CHEMBL3091684 cxcr4_human Human Yes 8.4 IC50 = 4 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
407 8 2 4 2.7 CC(=O)NCCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL1949734 cxcr4_human Human Yes 8.4 IC50 = 4 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1500 30 18 16 2.9 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1949737 cxcr4_human Human Yes 8.4 IC50 = 4 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1514 31 18 16 3.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1949740 cxcr4_human Human No 8.4 IC50 = 4 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1613 37 17 16 6.9 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CCCCCCCCCCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=O)N
CHEMBL2042118 cxcr4_human Human No 8.4 IC50 = 4.2 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=N1)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2042118 cxcr4_human Human No 8.4 IC50 = 4.2 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=N1)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL1242210 cxcr4_rat Rat Yes 8.4 IC50 = 4.3 Funct
Antagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_rat Rat Yes 8.4 IC50 = 4.3 Funct
Antagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL370001 cxcr4_human Human No 8.4 IC50 = 4.5 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
716 12 10 8 0.3 C1=CC=C2C=C(C=CC2=C1)CC3C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL1092637 cxcr4_human Human Yes 8.4 IC50 = 4.5 Funct
Inhibition of human CXCR4Inhibition of human CXCR4
432 6 0 4 4.1 CC(C)N1CCCC(C1)CN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
CHEMBL370001 cxcr4_human Human No 8.4 IC50 = 4.5 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
716 12 10 8 0.3 C1=CC=C2C=C(C=CC2=C1)CC3C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL1092637 cxcr4_human Human Yes 8.4 IC50 = 4.5 Funct
Inhibition of human CXCR4Inhibition of human CXCR4
432 6 0 4 4.1 CC(C)N1CCCC(C1)CN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
CHEMBL2042119 cxcr4_human Human No 8.3 IC50 = 4.9 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=N1)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL2042119 cxcr4_human Human No 8.3 IC50 = 4.9 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=N1)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL3091691 cxcr4_human Human Yes 7.4 IC50 = 40 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
446 9 1 6 2.9 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=COC=N5
CHEMBL3091682 cxcr4_human Human Yes 7.4 IC50 = 40 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
407 9 2 4 3.8 CC(C)NCCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL2347632 cxcr4_human Human Yes 7.4 IC50 = 40 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
707 19 6 4 6.6 C1=CC=C2C(=C1)C=CC=C2NC(=NCCCNCCCCN(CCCN=C(N)NC3=CC=CC4=CC=CC=C43)C(=NC5=CC=CC6=CC=CC=C65)N)N
CHEMBL373155 cxcr4_human Human No 7.4 IC50 = 42 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
659 8 7 7 1.4 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL373155 cxcr4_human Human No 7.4 IC50 = 42 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
659 8 7 7 1.4 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL424826 cxcr4_human Human No 6.4 IC50 = 420 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
671 8 7 7 1.5 C1CC2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N
CHEMBL3091686 cxcr4_human Human Yes 6.4 IC50 = 420 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
436 8 2 4 2.7 CN(C)C(=O)NCCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL424826 cxcr4_human Human No 6.4 IC50 = 420 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
671 8 7 7 1.5 C1CC2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N
CHEMBL462588 cxcr4_human Human No 6.4 IC50 = 437 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
435 7 1 4 5.3 CC(C)(C)C1CCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL462588 cxcr4_human Human No 6.4 IC50 = 437 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
435 7 1 4 5.3 CC(C)(C)C1CCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1682866 cxcr4_human Human Yes 7.4 IC50 = 44 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
345 7 1 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)Cl
CHEMBL3627930 cxcr4_human Human No 7.4 IC50 = 44 Funct
Displacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysisDisplacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysis
3681 67 29 41 2.2 CC(=O)NC(CCCCNC(=O)CSCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCNC(=N)N)CCCNC(=N)N)CC4=CC=C(C=C4)O)C(=O)N5CCCC5C(=O)N6CCCC6C(=O)N7CCCC7C(=O)N8CCCC8C(=O)N9CCCC9C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCCNC(=O)CSC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC2=CC=CC=C2C=C1)CCCNC(=N)N)CCCNC(=N)N)CC1=CC=C(C=C1)O)C(=O)N
CHEMBL1682866 cxcr4_human Human Yes 7.4 IC50 = 44 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
345 7 1 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)Cl
CHEMBL3627930 cxcr4_human Human No 7.4 IC50 = 44 Funct
Displacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysisDisplacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysis
3681 67 29 41 2.2 CC(=O)NC(CCCCNC(=O)CSCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCNC(=N)N)CCCNC(=N)N)CC4=CC=C(C=C4)O)C(=O)N5CCCC5C(=O)N6CCCC6C(=O)N7CCCC7C(=O)N8CCCC8C(=O)N9CCCC9C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCCNC(=O)CSC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC2=CC=CC=C2C=C1)CCCNC(=N)N)CCCNC(=N)N)CC1=CC=C(C=C1)O)C(=O)N
CHEMBL1644082 cxcr4_human Human No 7.4 IC50 = 44.5 Funct
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
373 5 2 5 2.3 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=COC=C5CN
CHEMBL1644082 cxcr4_human Human No 7.4 IC50 = 44.5 Funct
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
373 5 2 5 2.3 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=COC=C5CN
CHEMBL1092628 cxcr4_human Human Yes 6.4 IC50 = 442 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
359 7 1 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CCCCC#N)CC3=NC4=CC=CC=C4N3
CHEMBL1092628 cxcr4_human Human Yes 6.4 IC50 = 442 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
359 7 1 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CCCCC#N)CC3=NC4=CC=CC=C4N3
CHEMBL3091676 cxcr4_human Human Yes 6.4 IC50 = 450 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3C4=CC=CC=C4CCN3
CHEMBL3581269 cxcr4_human Human No 5.3 IC50 = 4600 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
758 12 9 8 0.6 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL3581269 cxcr4_human Human No 5.3 IC50 = 4600 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
758 12 9 8 0.6 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL375991 cxcr4_human Human Yes 7.3 IC50 = 47 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 -0.1 C1CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL577268 cxcr4_human Human Yes 7.3 IC50 = 47 Funct
Inhibition of human CXCR4Inhibition of human CXCR4
349 6 1 4 1.9 CN(CC1=NC2=CC=CC=C2N1CCCN)C3CCCC4=C3N=CC=C4
CHEMBL375991 cxcr4_human Human Yes 7.3 IC50 = 47 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 -0.1 C1CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL577268 cxcr4_human Human Yes 7.3 IC50 = 47 Funct
Inhibition of human CXCR4Inhibition of human CXCR4
349 6 1 4 1.9 CN(CC1=NC2=CC=CC=C2N1CCCN)C3CCCC4=C3N=CC=C4
CHEMBL452864 cxcr4_human Human No 7.3 IC50 = 48 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL452864 cxcr4_human Human No 7.3 IC50 = 48 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL518004 cxcr4_human Human No 5.3 IC50 = 4800 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
535 9 5 4 3.6 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=C(N3CCCN=C(N)N)C=CC(=C4)NC(=O)CC5=CC=C(C=C5)O
CHEMBL518004 cxcr4_human Human No 5.3 IC50 = 4800 Funct
Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cellsDisplacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
535 9 5 4 3.6 C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=C(N3CCCN=C(N)N)C=CC(=C4)NC(=O)CC5=CC=C(C=C5)O
CHEMBL1682860 cxcr4_human Human Yes 7.3 IC50 = 49 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
325 7 2 5 1.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC(=CC=C3)N
CHEMBL1682860 cxcr4_human Human Yes 7.3 IC50 = 49 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
325 7 2 5 1.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC(=CC=C3)N
CHEMBL371993 cxcr4_human Human No 6.3 IC50 = 490 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
659 8 7 7 1.4 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL3091691 cxcr4_human Human Yes 6.3 IC50 = 490 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
446 9 1 6 2.9 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=COC=N5
CHEMBL371993 cxcr4_human Human No 6.3 IC50 = 490 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
659 8 7 7 1.4 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL454689 cxcr4_human Human No 6.3 IC50 = 493 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
351 6 1 4 2.8 C1CCC(C1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL454689 cxcr4_human Human No 6.3 IC50 = 493 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
351 6 1 4 2.8 C1CCC(C1)NC(=NC2CCCC2)SCC3=CSC4=NCCN34
CHEMBL1644079 cxcr4_human Human No 8.3 IC50 = 5 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
455 8 2 6 3.0 CON=CC1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL1644072 cxcr4_human Human Yes 8.3 IC50 = 5 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
428 7 2 5 2.9 COC1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL1644079 cxcr4_human Human No 8.3 IC50 = 5 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
455 8 2 6 3.0 CON=CC1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL1644072 cxcr4_human Human Yes 8.3 IC50 = 5 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
428 7 2 5 2.9 COC1=CC(=C(C=C1)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5)CN
CHEMBL3091687 cxcr4_human Human Yes 8.3 IC50 = 5 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL3360194 cxcr4_human Human No 8.3 IC50 = 5.2 Funct
Displacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cellsDisplacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cells
2108 53 36 27 -5.2 CC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)NC3CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC5=CC=C(C=C5)O)CCCNC(=O)N)CCCNC(=N)N)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N
CHEMBL3360194 cxcr4_human Human No 8.3 IC50 = 5.2 Funct
Displacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cellsDisplacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cells
2108 53 36 27 -5.2 CC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)NC3CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC5=CC=C(C=C5)O)CCCNC(=O)N)CCCNC(=N)N)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N
CHEMBL454896 cxcr4_human Human No 8.3 IC50 = 5.3 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
435 6 1 4 6.1 C1CCCC(CCC1)NC(=NC2CCCCCCC2)SCC3=CSC4=NCCN34
CHEMBL454896 cxcr4_human Human No 8.3 IC50 = 5.3 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
435 6 1 4 6.1 C1CCCC(CCC1)NC(=NC2CCCCCCC2)SCC3=CSC4=NCCN34
CHEMBL1802329 cxcr4_human Human No 8.3 IC50 = 5.4 Funct
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
563 11 2 13 2.6 CCOCCN1CCN(CC1)C(=O)C2=CN=C(N=C2C(F)(F)F)NCC3=CC=C(C=C3)CNC4=NC=C(C=N4)F
CHEMBL1802329 cxcr4_human Human No 8.3 IC50 = 5.4 Funct
Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysisAntagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
563 11 2 13 2.6 CCOCCN1CCN(CC1)C(=O)C2=CN=C(N=C2C(F)(F)F)NCC3=CC=C(C=C3)CNC4=NC=C(C=N4)F
CHEMBL2012524 cxcr4_human Human No 8.3 IC50 = 5.7 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3026 86 49 43 -8.1 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL2012524 cxcr4_human Human No 8.3 IC50 = 5.7 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3026 86 49 43 -8.1 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C2CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)CCCCN)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C8CCCN8C(=O)C(CCCCN)N
CHEMBL1093008 cxcr4_human Human Yes 7.3 IC50 = 50 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC=C3CN)CC4=NC5=CC=CC=C5N4
CHEMBL1093008 cxcr4_human Human Yes 7.3 IC50 = 50 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
398 6 2 4 3.0 C1CC(C2=C(C1)C=CC=N2)N(CC3=CC=CC=C3CN)CC4=NC5=CC=CC=C5N4
CHEMBL2372997 cxcr4_human Human No 7.3 IC50 = 50.6 Funct
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
2053 46 31 28 -9.0 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCNC(=O)N)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL2029609 cxcr4_human Human No 6.3 IC50 = 500 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
727 12 9 7 1.1 CC1=CC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC1CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL2029609 cxcr4_human Human No 6.3 IC50 = 500 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
727 12 9 7 1.1 CC1=CC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC1CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL1956255 cxcr4_human Human Yes 7.3 IC50 = 51 Funct
Antagonist activity at CXCR4Antagonist activity at CXCR4
714 12 9 7 0.4 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=CC=C4
CHEMBL1644071 cxcr4_human Human Yes 7.3 IC50 = 51 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
466 6 2 7 3.8 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C(F)(F)F)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1956255 cxcr4_human Human Yes 7.3 IC50 = 51 Funct
Antagonist activity at CXCR4Antagonist activity at CXCR4
714 12 9 7 0.4 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=CC=C4
CHEMBL1644071 cxcr4_human Human Yes 7.3 IC50 = 51 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
466 6 2 7 3.8 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C(F)(F)F)CN)CC4=NC5=CC=CC=C5N4
CHEMBL2347625 cxcr4_human Human Yes 6.3 IC50 = 510 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
675 21 6 4 4.0 C1=CC=C(C=C1)NC(=NCCCN(CCCCN(CCCN=C(N)NC2=CC=CC=C2)C(=NC3=CC=CC=C3)N)C(=NC4=CC=CC=C4)N)N
CHEMBL1092596 cxcr4_human Human Yes 6.3 IC50 = 514 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
364 8 2 4 2.7 C1CC(C2=C(C1)C=CC=N2)N(CCCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1092596 cxcr4_human Human Yes 6.3 IC50 = 514 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
364 8 2 4 2.7 C1CC(C2=C(C1)C=CC=N2)N(CCCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL460482 cxcr4_human Human No 5.3 IC50 = 5275 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
373 6 1 4 3.6 C1CCC(CC1)N=C(NC2=CC=CC=C2)SCC3=CSC4=NCCN34
CHEMBL460482 cxcr4_human Human No 5.3 IC50 = 5275 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
373 6 1 4 3.6 C1CCC(CC1)N=C(NC2=CC=CC=C2)SCC3=CSC4=NCCN34
CHEMBL1682857 cxcr4_human Human Yes 7.3 IC50 = 53 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=NC(=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL1682857 cxcr4_human Human Yes 7.3 IC50 = 53 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=NC(=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL191639 cxcr4_human Human No 6.3 IC50 = 530 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
808 14 10 10 -0.1 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)NCCC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)NC(=O)CCN=C(N)N
CHEMBL191639 cxcr4_human Human No 6.3 IC50 = 530 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
808 14 10 10 -0.1 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)NCCC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)NC(=O)CCN=C(N)N
CHEMBL364295 cxcr4_human Human No 7.3 IC50 = 54 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
701 12 9 7 1.0 C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL364295 cxcr4_human Human No 7.3 IC50 = 54 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
701 12 9 7 1.0 C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O
CHEMBL452864 cxcr4_rat Rat No 7.3 IC50 = 55 Funct
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL452864 cxcr4_rat Rat No 7.3 IC50 = 55 Funct
Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cellsDisplacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL3091688 cxcr4_human Human Yes 7.3 IC50 = 56 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
456 9 1 5 3.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=CC=CC=N5
CHEMBL426169 cxcr4_human Human Yes 6.3 IC50 = 563 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL426169 cxcr4_human Human Yes 6.3 IC50 = 563 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL516630 cxcr4_human Human No 7.2 IC50 = 57 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
393 6 1 4 4.3 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCCN34
CHEMBL516630 cxcr4_human Human No 7.2 IC50 = 57 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
393 6 1 4 4.3 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCCN34
CHEMBL3091692 cxcr4_human Human Yes 6.2 IC50 = 570 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
492 9 1 6 2.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC(=O)N5CCOCC5
CHEMBL452864 cxcr4_human Human No 7.2 IC50 = 58 Funct
Activity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migrationActivity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migration
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL452864 cxcr4_human Human No 7.2 IC50 = 58 Funct
Activity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migrationActivity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migration
379 6 1 4 3.9 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL3091687 cxcr4_human Human Yes 8.2 IC50 = 6 Funct
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL3627794 cxcr4_human Human No 8.2 IC50 = 6 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
422 8 2 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)C4=CC=CC=C4
CHEMBL1949885 cxcr4_human Human Yes 8.2 IC50 = 6 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1600 33 20 18 1.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1949731 cxcr4_human Human Yes 8.2 IC50 = 6 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
702 11 8 8 0.8 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN
CHEMBL3627794 cxcr4_human Human No 8.2 IC50 = 6 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
422 8 2 5 1.8 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)C(=O)C4=CC=CC=C4
CHEMBL1949885 cxcr4_human Human Yes 8.2 IC50 = 6 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1600 33 20 18 1.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL1949731 cxcr4_human Human Yes 8.2 IC50 = 6 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
702 11 8 8 0.8 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN
CHEMBL3091687 cxcr4_human Human Yes 8.2 IC50 = 6.3 Funct
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL3091687 cxcr4_human Human Yes 8.2 IC50 = 6.3 Funct
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL541728 cxcr4_human Human No 8.2 IC50 = 6.6 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
393 6 1 4 4.4 C1CCCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1242210 cxcr4_human Human Yes 8.2 IC50 = 6.6 Funct
Antagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL541728 cxcr4_human Human No 8.2 IC50 = 6.6 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
393 6 1 4 4.4 C1CCCC(CC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1242210 cxcr4_human Human Yes 8.2 IC50 = 6.6 Funct
Antagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL3360195 cxcr4_human Human No 8.2 IC50 = 6.7 Funct
Displacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cellsDisplacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cells
2108 52 36 28 -5.5 CC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)NC3CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC5=CC=C(C=C5)O)CCCNC(=O)N)CCCNC(=N)N)CCC(=O)O)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N
CHEMBL3360195 cxcr4_human Human No 8.2 IC50 = 6.7 Funct
Displacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cellsDisplacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cells
2108 52 36 28 -5.5 CC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)NC3CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC5=CC=C(C=C5)O)CCCNC(=O)N)CCCNC(=N)N)CCC(=O)O)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N
CHEMBL1644085 cxcr4_human Human Yes 7.2 IC50 = 60 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
404 6 2 5 2.7 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(SC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL1949732 cxcr4_human Human Yes 7.2 IC50 = 60 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
744 12 8 8 1.1 CC(=O)NCCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL1644085 cxcr4_human Human Yes 7.2 IC50 = 60 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signalingAntagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
404 6 2 5 2.7 C1CC(C2=C(C1)C=CC=N2)N(CC3=C(SC=C3)CN)CC4=NC5=CC=CC=C5N4
CHEMBL3091688 cxcr4_human Human Yes 7.2 IC50 = 60 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
456 9 1 5 3.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=CC=CC=N5
CHEMBL3091690 cxcr4_human Human Yes 7.2 IC50 = 60 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
456 9 1 5 3.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=CC=NC=C5
CHEMBL1949732 cxcr4_human Human Yes 7.2 IC50 = 60 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
744 12 8 8 1.1 CC(=O)NCCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL3581263 cxcr4_human Human Yes 5.2 IC50 = 6000 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
744 12 10 8 -0.1 C1CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL3581263 cxcr4_human Human Yes 5.2 IC50 = 6000 Funct
Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assayInhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
744 12 10 8 -0.1 C1CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL366033 cxcr4_human Human No 6.2 IC50 = 610 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
703 11 9 9 0.7 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCC(=O)O)CC4=CC=C(C=C4)O
CHEMBL366033 cxcr4_human Human No 6.2 IC50 = 610 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
703 11 9 9 0.7 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCC(=O)O)CC4=CC=C(C=C4)O
CHEMBL2347627 cxcr4_human Human Yes 7.2 IC50 = 62 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
482 13 5 3 4.2 C1=CC=C2C=C(C=CC2=C1)NC(=NCCCCNCCCN=C(N)NC3=CC4=CC=CC=C4C=C3)N
CHEMBL2012528 cxcr4_human Human No 7.2 IC50 = 62.0 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2620 71 40 37 -6.8 CC(C)CC(C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C1CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC1)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCCN)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)N
CHEMBL2012528 cxcr4_human Human No 7.2 IC50 = 62.0 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
2620 71 40 37 -6.8 CC(C)CC(C(=O)NC(CO)C(=O)NCCCCC(C(=O)O)NC(=O)C1CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC1)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCCN)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCCN)N
CHEMBL1682995 cxcr4_human Human Yes 7.2 IC50 = 62.9 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
338 7 1 4 2.5 CC1=CC(=C(N=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3)C
CHEMBL1682995 cxcr4_human Human Yes 7.2 IC50 = 62.9 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
338 7 1 4 2.5 CC1=CC(=C(N=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3)C
CHEMBL1682864 cxcr4_human Human Yes 7.2 IC50 = 63 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
353 8 1 4 2.9 CC(C)C1=C(N=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL1949730 cxcr4_human Human Yes 7.2 IC50 = 63 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL191687 cxcr4_human Human No 7.2 IC50 = 63 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL374108 cxcr4_human Human Yes 7.2 IC50 = 63 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL1682864 cxcr4_human Human Yes 7.2 IC50 = 63 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
353 8 1 4 2.9 CC(C)C1=C(N=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL1949730 cxcr4_human Human Yes 7.2 IC50 = 63 Funct
Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hrDisplacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCN=C(N)N
CHEMBL191687 cxcr4_human Human No 7.2 IC50 = 63 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
CHEMBL374108 cxcr4_human Human Yes 7.2 IC50 = 63 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
645 8 8 7 1.2 CC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O
CHEMBL373637 cxcr4_human Human Yes 6.2 IC50 = 640 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
784 12 9 8 1.1 C1CCN2C(C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=C(C=C3)O)CCCN=C(N)N)CCCN=C(N)N)CC4=CC5=CC=CC=C5C=C4
CHEMBL373637 cxcr4_human Human Yes 6.2 IC50 = 640 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
784 12 9 8 1.1 C1CCN2C(C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=C(C=C3)O)CCCN=C(N)N)CCCN=C(N)N)CC4=CC5=CC=CC=C5C=C4
CHEMBL1682990 cxcr4_human Human No 7.2 IC50 = 66 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
298 8 1 4 1.7 CC1=CN=C(C=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL1682990 cxcr4_human Human No 7.2 IC50 = 66 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
298 8 1 4 1.7 CC1=CN=C(C=C1)CN(CCCCN)C(C)C2=CC=CC=N2
CHEMBL3091690 cxcr4_human Human Yes 6.2 IC50 = 660 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
456 9 1 5 3.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=CC=NC=C5
CHEMBL1949733 cxcr4_human Human Yes 7.2 IC50 = 67 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
815 16 9 9 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)CCCC(=O)N
CHEMBL1949733 cxcr4_human Human Yes 7.2 IC50 = 67 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
815 16 9 9 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)CCCC(=O)N
CHEMBL2042233 cxcr4_human Human No 6.2 IC50 = 679 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)N)CC4=CC=C(C=C4)O
CHEMBL2042233 cxcr4_human Human No 6.2 IC50 = 679 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=O)NC(C(=NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)N)CC4=CC=C(C=C4)O
CHEMBL1088912 cxcr4_human Human Yes 7.2 IC50 = 68 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
335 6 2 4 2.0 C1CC(C2=C(C1)C=CC=N2)N(CCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1088912 cxcr4_human Human Yes 7.2 IC50 = 68 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
335 6 2 4 2.0 C1CC(C2=C(C1)C=CC=N2)N(CCCN)CC3=NC4=CC=CC=C4N3
CHEMBL192913 cxcr4_human Human No 6.2 IC50 = 690 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 11 9 9 -2.1 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)NC(=O)CCN=C(N)N
CHEMBL192913 cxcr4_human Human No 6.2 IC50 = 690 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
688 11 9 9 -2.1 C1C(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)NC(=O)CCN=C(N)N
CHEMBL3091687 cxcr4_human Human Yes 8.2 IC50 = 7 Funct
Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
365 7 2 4 2.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3
CHEMBL3091682 cxcr4_human Human Yes 8.2 IC50 = 7 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
407 9 2 4 3.8 CC(C)NCCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL1242210 cxcr4_macmu Rhesus macaque Yes 8.1 IC50 = 7.8 Funct
Antagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1242210 cxcr4_macmu Rhesus macaque Yes 8.1 IC50 = 7.8 Funct
Antagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assayAntagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
421 5 1 6 2.3 CN1CCN(CC1)C2=CC=CC3=NC(=C(N32)CO)CN(C)C4CCCC5=C4N=CC=C5
CHEMBL3091689 cxcr4_human Human Yes 7.2 IC50 = 70 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
456 9 1 5 3.3 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC5=CN=CC=C5
CHEMBL3627860 cxcr4_human Human No 7.2 IC50 = 71 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
508 9 2 7 2.8 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4
CHEMBL3627860 cxcr4_human Human No 7.2 IC50 = 71 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium fluxAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of CXCL12-induced calcium flux
508 9 2 7 2.8 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CN(CCN3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4
CHEMBL1682987 cxcr4_human Human No 7.1 IC50 = 72 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
299 8 2 5 0.7 CC(C1=CC=CC=N1)N(CCCCN)CC2=C(C=CC=N2)N
CHEMBL1682987 cxcr4_human Human No 7.1 IC50 = 72 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
299 8 2 5 0.7 CC(C1=CC=CC=N1)N(CCCCN)CC2=C(C=CC=N2)N
CHEMBL1099015 cxcr4_human Human Yes 7.1 IC50 = 74 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
310 7 1 4 1.7 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=CC=CC=N3
CHEMBL1099015 cxcr4_human Human Yes 7.1 IC50 = 74 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
310 7 1 4 1.7 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=CC=CC=N3
CHEMBL461358 cxcr4_human Human No 7.1 IC50 = 75 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
381 10 1 4 4.5 CCCCCCN=C(NC1CCCCC1)SCC2=CSC3=NCCN23
CHEMBL1088916 cxcr4_human Human Yes 7.1 IC50 = 75 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
378 9 2 4 3.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL461358 cxcr4_human Human No 7.1 IC50 = 75 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
381 10 1 4 4.5 CCCCCCN=C(NC1CCCCC1)SCC2=CSC3=NCCN23
CHEMBL1088916 cxcr4_human Human Yes 7.1 IC50 = 75 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
378 9 2 4 3.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCCCN)CC3=NC4=CC=CC=C4N3
CHEMBL1091591 cxcr4_human Human Yes 7.1 IC50 = 76 Funct
Inhibition of human CXCR4Inhibition of human CXCR4
390 4 0 4 3.0 CN1CCC(CC1)N2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1091591 cxcr4_human Human Yes 7.1 IC50 = 76 Funct
Inhibition of human CXCR4Inhibition of human CXCR4
390 4 0 4 3.0 CN1CCC(CC1)N2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5
CHEMBL1089844 cxcr4_human Human Yes 7.1 IC50 = 77 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
347 6 2 4 2.0 C1CC(C2=C(C1)C=CC=N2)N(CC=CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1089844 cxcr4_human Human Yes 7.1 IC50 = 77 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
347 6 2 4 2.0 C1CC(C2=C(C1)C=CC=N2)N(CC=CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1682865 cxcr4_human Human Yes 7.1 IC50 = 79 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
340 8 2 5 0.9 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)CO
CHEMBL1682865 cxcr4_human Human Yes 7.1 IC50 = 79 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
340 8 2 5 0.9 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=C(C=CC=N3)CO
CHEMBL460298 cxcr4_human Human No 8.1 IC50 = 8 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
407 6 1 4 5.0 C1CCCC(CCC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1682993 cxcr4_human Human No 8.1 IC50 = 8 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
312 8 1 4 2.1 CC1=CC(=NC=C1)C(C)N(CCCCN)CC2=C(C=CC=N2)C
CHEMBL1949884 cxcr4_human Human Yes 8.1 IC50 = 8 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1586 32 20 18 1.5 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL460298 cxcr4_human Human No 8.1 IC50 = 8 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
407 6 1 4 5.0 C1CCCC(CCC1)N=C(NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1682993 cxcr4_human Human No 8.1 IC50 = 8 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
312 8 1 4 2.1 CC1=CC(=NC=C1)C(C)N(CCCCN)CC2=C(C=CC=N2)C
CHEMBL3091681 cxcr4_human Human Yes 8.1 IC50 = 8 Funct
Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayAntagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
393 8 1 4 3.4 CN(C)CCCCN(CC1CC2=CC=CC=C2CN1)C3CCCC4=C3N=CC=C4
CHEMBL1949884 cxcr4_human Human Yes 8.1 IC50 = 8 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
1586 32 20 18 1.5 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CNC(=O)CC(=O)NCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N
CHEMBL2373002 cxcr4_human Human No 8.1 IC50 = 8.0 Funct
Inhibitory concentration determined on an HIV infection model mediated by CXCR4Inhibitory concentration determined on an HIV infection model mediated by CXCR4
2024 46 30 28 -8.3 C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(C4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)CCCNC(=O)N)CCCN=C(N)N)CC6=CC=C(C=C6)O
CHEMBL518501 cxcr4_human Human No 8.1 IC50 = 8.8 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
435 6 1 4 5.6 CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCCC3)NC4CCCCCC4)C
CHEMBL518501 cxcr4_human Human No 8.1 IC50 = 8.8 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
435 6 1 4 5.6 CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCCC3)NC4CCCCCC4)C
CHEMBL3091692 cxcr4_human Human Yes 7.1 IC50 = 80 Funct
Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assayAntagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
492 9 1 6 2.1 C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3CC4=CC=CC=C4CN3CC(=O)N5CCOCC5
CHEMBL461359 cxcr4_human Human No 7.1 IC50 = 81 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
431 6 1 4 4.5 C1CCC(CC1)NC(=NC2C3CC4CC(C3)CC2C4)SCC5=CSC6=NCCN56
CHEMBL461359 cxcr4_human Human No 7.1 IC50 = 81 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
431 6 1 4 4.5 C1CCC(CC1)NC(=NC2C3CC4CC(C3)CC2C4)SCC5=CSC6=NCCN56
CHEMBL516989 cxcr4_human Human No 5.1 IC50 = 8120 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
427 6 1 4 6.3 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NC5=CC=CC=C5N34
CHEMBL516989 cxcr4_human Human No 5.1 IC50 = 8120 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
427 6 1 4 6.3 C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NC5=CC=CC=C5N34
CHEMBL461358 cxcr4_human Human No 6.1 IC50 = 855 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
381 10 1 4 4.5 CCCCCCN=C(NC1CCCCC1)SCC2=CSC3=NCCN23
CHEMBL461358 cxcr4_human Human No 6.1 IC50 = 855 Funct
Displacement of [125I]CXCL12 from CXCR4 in human CEM cellsDisplacement of [125I]CXCL12 from CXCR4 in human CEM cells
381 10 1 4 4.5 CCCCCCN=C(NC1CCCCC1)SCC2=CSC3=NCCN23
CHEMBL3628613 cxcr4_human Human No 7.1 IC50 = 86 Funct
Displacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysisDisplacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysis
3864 77 30 44 3.7 C1CC(N(C1)C(=O)C2CCCN2C(=O)C3CCCN3C(=O)C4CCCN4C(=O)C5CCCN5C(=O)C6CCCN6C(=O)C7CCCN7C(=O)C8CCCN8C(=O)C9CCCN9C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCCNC(=O)CSCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC2=CC=CC=C2C=C1)CCCNC(=N)N)CCCNC(=N)N)CC1=CC=C(C=C1)O)NC(=O)CCCNC(=O)CCCCCN=[N+]=[N-])C(=O)NC(CCCCNC(=O)CSC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC2=CC=CC=C2C=C1)CCCNC(=N)N)CCCNC(=N)N)CC1=CC=C(C=C1)O)C(=O)N
CHEMBL3628613 cxcr4_human Human No 7.1 IC50 = 86 Funct
Displacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysisDisplacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysis
3864 77 30 44 3.7 C1CC(N(C1)C(=O)C2CCCN2C(=O)C3CCCN3C(=O)C4CCCN4C(=O)C5CCCN5C(=O)C6CCCN6C(=O)C7CCCN7C(=O)C8CCCN8C(=O)C9CCCN9C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCCNC(=O)CSCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC2=CC=CC=C2C=C1)CCCNC(=N)N)CCCNC(=N)N)CC1=CC=C(C=C1)O)NC(=O)CCCNC(=O)CCCCCN=[N+]=[N-])C(=O)NC(CCCCNC(=O)CSC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC2=CC=CC=C2C=C1)CCCNC(=N)N)CCCNC(=N)N)CC1=CC=C(C=C1)O)C(=O)N
CHEMBL1092301 cxcr4_human Human Yes 7.1 IC50 = 87 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
378 8 1 4 3.4 CN(C)CCCCN(CC1=NC2=CC=CC=C2N1)C3CCCC4=C3N=CC=C4
CHEMBL1092301 cxcr4_human Human Yes 7.1 IC50 = 87 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
378 8 1 4 3.4 CN(C)CCCCN(CC1=NC2=CC=CC=C2N1)C3CCCC4=C3N=CC=C4
CHEMBL1644081 cxcr4_human Human No 7.1 IC50 = 88.9 Funct
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
390 5 2 5 2.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=CSC=C5CN
CHEMBL1644081 cxcr4_human Human No 7.1 IC50 = 88.9 Funct
Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation countingDisplacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
390 5 2 5 2.9 C1CC(C2=C(C1)C=CC=N2)N(CC3=NC4=CC=CC=C4N3)C5=CSC=C5CN
CHEMBL3091683 cxcr4_human Human Yes 7.1 IC50 = 89.5 Funct
Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assayAntagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
456 10 2 5 3.4 C1CC(C2=C(C1)C=CC=N2)N(CCCCNCC3=CC=CC=N3)CC4CC5=CC=CC=C5CN4
CHEMBL2042117 cxcr4_human Human No 8.0 IC50 = 9.4 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O)N
CHEMBL2042117 cxcr4_human Human No 8.0 IC50 = 9.4 Funct
Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation countingDisplacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
729 12 10 8 -0.3 C1C(=NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCN=C(N)N)CC4=CC=C(C=C4)O)N
CHEMBL2012523 cxcr4_human Human No 8.0 IC50 = 9.6 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3123 87 49 44 -8.0 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NCCCCC(C(=O)O)NC(=O)C3CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC3)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCCN)CCCCN)CC8=CC=C(C=C8)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C9CCCN9C(=O)C(CCCCN)N
CHEMBL2012523 cxcr4_human Human No 8.0 IC50 = 9.6 Funct
Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma countingDisplacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
3123 87 49 44 -8.0 CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NCCCCC(C(=O)O)NC(=O)C3CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSC3)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCCN)CCCCN)CC8=CC=C(C=C8)O)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C9CCCN9C(=O)C(CCCCN)N
CHEMBL372874 cxcr4_human Human No 8.0 IC50 = 9.9 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
728 9 9 8 -0.4 C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C2=O)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N)N=C(N)N
CHEMBL372874 cxcr4_human Human No 8.0 IC50 = 9.9 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
728 9 9 8 -0.4 C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C2=O)CC3=CC=C(C=C3)O)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N)N=C(N)N
CHEMBL1682855 cxcr4_human Human No 7.0 IC50 = 91 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=CC(=NC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL1682855 cxcr4_human Human No 7.0 IC50 = 91 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signalingAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
324 7 1 4 2.1 CC1=CC(=NC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL460484 cxcr4_human Human No 5.0 IC50 = 9130 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
381 6 1 4 4.4 CN=C1N(C(=CS1)CSC(=NC2CCCCC2)NC3CCCCC3)C
CHEMBL460484 cxcr4_human Human No 5.0 IC50 = 9130 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
381 6 1 4 4.4 CN=C1N(C(=CS1)CSC(=NC2CCCCC2)NC3CCCCC3)C
CHEMBL3781301 cxcr4_human Human Yes 7.0 IC50 = 92 Funct
Antagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysisAntagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysis
400 8 1 4 4.3 C1CCN(CC1)CCN(CC2CCCN(C2)C3CCCC3)CC4=CC(=CC=C4)O
CHEMBL3781301 cxcr4_human Human Yes 7.0 IC50 = 92 Funct
Antagonist activity at CXCR4 in human MOLT-4 cells assessed as decrease in SDF-1alpha induced cytosolic Ca2+ levels preincubated for 30 mins followed by SDF-1alpha addition by FACS analysisAntagonist activity at CXCR4 in human MOLT-4 cells assessed as decrease in SDF-1alpha induced cytosolic Ca2+ levels preincubated for 30 mins followed by SDF-1alpha addition by FACS analysis
400 8 1 4 4.3 C1CCN(CC1)CCN(CC2CCCN(C2)C3CCCC3)CC4=CC(=CC=C4)O
CHEMBL376811 cxcr4_human Human Yes 7.0 IC50 = 92 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL3781301 cxcr4_human Human Yes 7.0 IC50 = 92 Funct
Antagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysisAntagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysis
400 8 1 4 4.3 C1CCN(CC1)CCN(CC2CCCN(C2)C3CCCC3)CC4=CC(=CC=C4)O
CHEMBL376811 cxcr4_human Human Yes 7.0 IC50 = 92 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 10 8 0.4 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
CHEMBL2347633 cxcr4_human Human Yes 7.0 IC50 = 93 Funct
Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assayInhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
707 19 6 4 6.6 C1=CC=C2C=C(C=CC2=C1)NC(=NCCCNCCCCN(CCCN=C(N)NC3=CC4=CC=CC=C4C=C3)C(=NC5=CC6=CC=CC=C6C=C5)N)N
CHEMBL452868 cxcr4_human Human No 6.0 IC50 = 931 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
393 6 0 4 4.1 CN(C1CCCCC1)C(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL452868 cxcr4_human Human No 6.0 IC50 = 931 Funct
Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilizationActivity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
393 6 0 4 4.1 CN(C1CCCCC1)C(=NC2CCCCC2)SCC3=CSC4=NCCN34
CHEMBL1682994 cxcr4_human Human Yes 7.0 IC50 = 96.1 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
324 7 1 4 2.1 CC1=NC(=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL1682994 cxcr4_human Human Yes 7.0 IC50 = 96.1 Funct
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingDisplacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
324 7 1 4 2.1 CC1=NC(=CC=C1)CN(CCCCN)C2CCCC3=C2N=CC=C3
CHEMBL1956254 cxcr4_human Human No 7.0 IC50 = 97 Funct
Antagonist activity at CXCR4Antagonist activity at CXCR4
702 12 9 8 1.0 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCCN)CC4=CC=C(C=C4)O
CHEMBL365952 cxcr4_human Human No 7.0 IC50 = 97 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
702 12 9 8 1.0 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCCN)CC4=CC=C(C=C4)O
CHEMBL1956254 cxcr4_human Human No 7.0 IC50 = 97 Funct
Antagonist activity at CXCR4Antagonist activity at CXCR4
702 12 9 8 1.0 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCCN)CC4=CC=C(C=C4)O
CHEMBL365952 cxcr4_human Human No 7.0 IC50 = 97 Funct
Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cellsInhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
702 12 9 8 1.0 C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)CCCCN)CC4=CC=C(C=C4)O
CHEMBL1089846 cxcr4_human Human Yes 6.0 IC50 = 973 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
345 4 2 4 1.7 C1CC(C2=C(C1)C=CC=N2)N(CC#CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1089846 cxcr4_human Human Yes 6.0 IC50 = 973 Funct
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium fluxAntagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
345 4 2 4 1.7 C1CC(C2=C(C1)C=CC=N2)N(CC#CCN)CC3=NC4=CC=CC=C4N3
CHEMBL1949887 cxcr4_human Human No 7.0 IC50 = 98 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2000 44 23 28 -5.8 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CC(C(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL1949887 cxcr4_human Human No 7.0 IC50 = 98 Funct
Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma countingDisplacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
2000 44 23 28 -5.8 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CCCNC(=O)CC(C(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCNC(=N)N)NC(=O)CCCCCNC(=O)CN9CCN(CCN(CCN(CC9)CC(=O)O)CC(=O)O)CC(=O)O
CHEMBL436536 cxcr4_human Human Yes 7.0 IC50 = 99 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL436536 cxcr4_human Human Yes 7.0 IC50 = 99 Funct
Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cellsInhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
744 12 9 8 0.2 CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)O)CCCN=C(N)N)CCCN=C(N)N
CHEMBL126657 cxcr4_human Human Yes 7.3 Ki = 53 Funct
Inhibition of EGFP-tagged human CXCR4 expressed in HEK293 cells assessed as inhibition of CXCL12-TR binding incubated for 5 mins prior to CXCL12-TR addition by FRET assayInhibition of EGFP-tagged human CXCR4 expressed in HEK293 cells assessed as inhibition of CXCL12-TR binding incubated for 5 mins prior to CXCL12-TR addition by FRET assay
289 4 1 3 4.0 COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl)O
«

Versions

Package Name Version
Django 2.2.1
Python 3.6.7
debug_toolbar Debug Toolbar 1.11
polymorphic Polymorphic 2.0.3
rest_framework Django REST framework 3.9.3
rest_framework_swagger Rest_Framework_Swagger 2.2.0

Time

Resource usage

Resource Value
User CPU time 2767.771 msec
System CPU time 208.090 msec
Total CPU time 2975.861 msec
Elapsed time 3500.282 msec
Context switches 660 voluntary, 111 involuntary

Browser timing

Timing attribute Timeline Milliseconds since navigation start (+length)

Settings from protwis.settings

Setting Value
ABSOLUTE_URL_OVERRIDES {}
ADMINS []
ALLOWED_HOSTS ['*']
APPEND_SLASH True
AUTHENTICATION_BACKENDS ['django.contrib.auth.backends.ModelBackend']
AUTH_PASSWORD_VALIDATORS '********************'
AUTH_USER_MODEL 'auth.User'
BASE_DIR '/home/protwis/gpcrdb_test'
BUILD_CACHE_DIR '/home/protwis/gpcrdb_data/cache'
CACHES {'alignments': {'BACKEND': 'django.core.cache.backends.filebased.FileBasedCache', 'LOCATION': '/home/protwis/caches/test_alignment', 'OPTIONS': {'MAX_ENTRIES': 1000}}, 'default': {'BACKEND': 'django.core.cache.backends.filebased.FileBasedCache', 'LOCATION': '/home/protwis/caches/test/', 'OPTIONS': {'MAX_ENTRIES': 10000000}}}
CACHE_MIDDLEWARE_ALIAS 'default'
CACHE_MIDDLEWARE_KEY_PREFIX '********************'
CACHE_MIDDLEWARE_SECONDS 600
CSRF_COOKIE_AGE 31449600
CSRF_COOKIE_DOMAIN None
CSRF_COOKIE_HTTPONLY False
CSRF_COOKIE_NAME 'csrftoken'
CSRF_COOKIE_PATH '/'
CSRF_COOKIE_SAMESITE 'Lax'
CSRF_COOKIE_SECURE False
CSRF_FAILURE_VIEW 'django.views.csrf.csrf_failure'
CSRF_HEADER_NAME 'HTTP_X_CSRFTOKEN'
CSRF_TRUSTED_ORIGINS []
CSRF_USE_SESSIONS False
DATABASES {'default': {'ATOMIC_REQUESTS': False, 'AUTOCOMMIT': True, 'CONN_MAX_AGE': 0, 'ENGINE': 'django.db.backends.postgresql_psycopg2', 'HOST': 'localhost', 'NAME': 'protwis_202107', 'OPTIONS': {}, 'PASSWORD': '********************', 'PORT': '', 'TEST': {'CHARSET': None, 'COLLATION': None, 'MIRROR': None, 'NAME': None}, 'TIME_ZONE': None, 'USER': 'protwis'}}
DATABASE_ROUTERS []
DATA_DIR '/home/protwis/gpcrdb_data'
DATA_UPLOAD_MAX_MEMORY_SIZE 2621440
DATA_UPLOAD_MAX_NUMBER_FIELDS 1000
DATETIME_FORMAT 'N j, Y, P'
DATETIME_INPUT_FORMATS ['%Y-%m-%d %H:%M:%S', '%Y-%m-%d %H:%M:%S.%f', '%Y-%m-%d %H:%M', '%Y-%m-%d', '%m/%d/%Y %H:%M:%S', '%m/%d/%Y %H:%M:%S.%f', '%m/%d/%Y %H:%M', '%m/%d/%Y', '%m/%d/%y %H:%M:%S', '%m/%d/%y %H:%M:%S.%f', '%m/%d/%y %H:%M', '%m/%d/%y']
DATE_FORMAT 'N j, Y'
DATE_INPUT_FORMATS ['%Y-%m-%d', '%m/%d/%Y', '%m/%d/%y', '%b %d %Y', '%b %d, %Y', '%d %b %Y', '%d %b, %Y', '%B %d %Y', '%B %d, %Y', '%d %B %Y', '%d %B, %Y']
DEBUG True
DEBUG_PROPAGATE_EXCEPTIONS False
DEBUG_TOOLBAR_PATCH_SETTINGS False
DECIMAL_SEPARATOR '.'
DEFAULT_CHARSET 'utf-8'
DEFAULT_CONTENT_TYPE 'text/html'
DEFAULT_EXCEPTION_REPORTER_FILTER 'django.views.debug.SafeExceptionReporterFilter'
DEFAULT_FILE_STORAGE 'django.core.files.storage.FileSystemStorage'
DEFAULT_FROM_EMAIL 'webmaster@localhost'
DEFAULT_INDEX_TABLESPACE ''
DEFAULT_NUMBERING_SCHEME 'gpcrdb'
DEFAULT_PROTEIN_STATE 'inactive'
DEFAULT_SITE 'gpcr'
DEFAULT_TABLESPACE ''
DISALLOWED_USER_AGENTS []
DOCUMENTATION_URL 'https://docs.gpcrdb.org/'
EMAIL_BACKEND 'django.core.mail.backends.smtp.EmailBackend'
EMAIL_HOST 'localhost'
EMAIL_HOST_PASSWORD '********************'
EMAIL_HOST_USER ''
EMAIL_PORT 25
EMAIL_SSL_CERTFILE None
EMAIL_SSL_KEYFILE '********************'
EMAIL_SUBJECT_PREFIX '[Django] '
EMAIL_TIMEOUT None
EMAIL_USE_LOCALTIME False
EMAIL_USE_SSL False
EMAIL_USE_TLS False
FILE_CHARSET 'utf-8'
FILE_UPLOAD_DIRECTORY_PERMISSIONS None
FILE_UPLOAD_HANDLERS ['django.core.files.uploadhandler.MemoryFileUploadHandler', 'django.core.files.uploadhandler.TemporaryFileUploadHandler']
FILE_UPLOAD_MAX_MEMORY_SIZE 2621440
FILE_UPLOAD_PERMISSIONS None
FILE_UPLOAD_TEMP_DIR None
FIRST_DAY_OF_WEEK 0
FIXTURE_DIRS []
FORCE_SCRIPT_NAME None
FORMAT_MODULE_PATH None
FORM_RENDERER 'django.forms.renderers.DjangoTemplates'
GOOGLE_ANALYTICS_API '********************'
GOOGLE_ANALYTICS_KEY '********************'
IGNORABLE_404_URLS []
INSTALLED_APPS ('django.contrib.admin', 'django.contrib.auth', 'django.contrib.contenttypes', 'django.contrib.sessions', 'django.contrib.messages', 'django.contrib.staticfiles', 'django.contrib.humanize', 'debug_toolbar', 'rest_framework', 'rest_framework_swagger', 'polymorphic', 'common', 'api', 'news', 'pages', 'home', 'protein', 'family', 'residue', 'alignment', 'similaritysearch', 'similaritymatrix', 'structure', 'ligand', 'interaction', 'mutation', 'phylogenetic_trees', 'sitesearch', 'build_gpcr', 'construct', 'tools', 'drugs', 'signprot', 'signprot2', 'mutational_landscape', 'contactnetwork', 'seqsign', 'angles', 'hotspots')
INTERNAL_IPS '10.0.2.2'
LANGUAGES [('af', 'Afrikaans'), ('ar', 'Arabic'), ('ast', 'Asturian'), ('az', 'Azerbaijani'), ('bg', 'Bulgarian'), ('be', 'Belarusian'), ('bn', 'Bengali'), ('br', 'Breton'), ('bs', 'Bosnian'), ('ca', 'Catalan'), ('cs', 'Czech'), ('cy', 'Welsh'), ('da', 'Danish'), ('de', 'German'), ('dsb', 'Lower Sorbian'), ('el', 'Greek'), ('en', 'English'), ('en-au', 'Australian English'), ('en-gb', 'British English'), ('eo', 'Esperanto'), ('es', 'Spanish'), ('es-ar', 'Argentinian Spanish'), ('es-co', 'Colombian Spanish'), ('es-mx', 'Mexican Spanish'), ('es-ni', 'Nicaraguan Spanish'), ('es-ve', 'Venezuelan Spanish'), ('et', 'Estonian'), ('eu', 'Basque'), ('fa', 'Persian'), ('fi', 'Finnish'), ('fr', 'French'), ('fy', 'Frisian'), ('ga', 'Irish'), ('gd', 'Scottish Gaelic'), ('gl', 'Galician'), ('he', 'Hebrew'), ('hi', 'Hindi'), ('hr', 'Croatian'), ('hsb', 'Upper Sorbian'), ('hu', 'Hungarian'), ('hy', 'Armenian'), ('ia', 'Interlingua'), ('id', 'Indonesian'), ('io', 'Ido'), ('is', 'Icelandic'), ('it', 'Italian'), ('ja', 'Japanese'), ('ka', 'Georgian'), ('kab', 'Kabyle'), ('kk', 'Kazakh'), ('km', 'Khmer'), ('kn', 'Kannada'), ('ko', 'Korean'), ('lb', 'Luxembourgish'), ('lt', 'Lithuanian'), ('lv', 'Latvian'), ('mk', 'Macedonian'), ('ml', 'Malayalam'), ('mn', 'Mongolian'), ('mr', 'Marathi'), ('my', 'Burmese'), ('nb', 'Norwegian Bokmål'), ('ne', 'Nepali'), ('nl', 'Dutch'), ('nn', 'Norwegian Nynorsk'), ('os', 'Ossetic'), ('pa', 'Punjabi'), ('pl', 'Polish'), ('pt', 'Portuguese'), ('pt-br', 'Brazilian Portuguese'), ('ro', 'Romanian'), ('ru', 'Russian'), ('sk', 'Slovak'), ('sl', 'Slovenian'), ('sq', 'Albanian'), ('sr', 'Serbian'), ('sr-latn', 'Serbian Latin'), ('sv', 'Swedish'), ('sw', 'Swahili'), ('ta', 'Tamil'), ('te', 'Telugu'), ('th', 'Thai'), ('tr', 'Turkish'), ('tt', 'Tatar'), ('udm', 'Udmurt'), ('uk', 'Ukrainian'), ('ur', 'Urdu'), ('vi', 'Vietnamese'), ('zh-hans', 'Simplified Chinese'), ('zh-hant', 'Traditional Chinese')]
LANGUAGES_BIDI ['he', 'ar', 'fa', 'ur']
LANGUAGE_CODE 'en-us'
LANGUAGE_COOKIE_AGE None
LANGUAGE_COOKIE_DOMAIN None
LANGUAGE_COOKIE_NAME 'django_language'
LANGUAGE_COOKIE_PATH '/'
LOCALE_PATHS []
LOGGING {'disable_existing_loggers': False, 'formatters': {'verbose': {'datefmt': '%d/%b/%Y %H:%M:%S', 'format': '[%(asctime)s] %(levelname)s ' '[%(name)s:%(lineno)s] %(message)s'}, 'verbose_low': {'datefmt': '%d/%b/%Y %H:%M:%S', 'format': '[%(asctime)s] %(levelname)s ' '[%(name)s:%(lineno)s]'}}, 'handlers': {'build': {'class': 'logging.FileHandler', 'filename': 'logs/build.log', 'formatter': 'verbose', 'level': 'DEBUG'}, 'django': {'class': 'logging.FileHandler', 'filename': 'logs/django.log', 'formatter': 'verbose', 'level': 'WARNING'}, 'protwis': {'class': 'logging.FileHandler', 'filename': 'logs/protwis.log', 'formatter': 'verbose', 'level': 'DEBUG'}}, 'loggers': {'build': {'handlers': ['build'], 'level': 'DEBUG'}, 'django': {'handlers': ['django'], 'level': 'WARNING', 'propagate': True}, 'protwis': {'handlers': ['protwis'], 'level': 'DEBUG'}}, 'version': 1}
LOGGING_CONFIG 'logging.config.dictConfig'
LOGIN_REDIRECT_URL '/accounts/profile/'
LOGIN_URL '/accounts/login/'
LOGOUT_REDIRECT_URL None
MANAGERS []
MEDIA_ROOT '/protwis/media/protwis'
MEDIA_URL '/media/'
MESSAGE_STORAGE 'django.contrib.messages.storage.fallback.FallbackStorage'
MIDDLEWARE ('common.middleware.stats.StatsMiddleware', 'debug_toolbar.middleware.DebugToolbarMiddleware', 'django.contrib.sessions.middleware.SessionMiddleware', 'django.middleware.common.CommonMiddleware', 'django.middleware.csrf.CsrfViewMiddleware', 'django.contrib.auth.middleware.AuthenticationMiddleware', 'django.contrib.messages.middleware.MessageMiddleware', 'django.middleware.clickjacking.XFrameOptionsMiddleware')
MIGRATION_MODULES {}
MONTH_DAY_FORMAT 'F j'
NUMBER_GROUPING 0
PASSWORD_HASHERS '********************'
PASSWORD_RESET_TIMEOUT_DAYS '********************'
PREPEND_WWW False
REFERENCE_POSITIONS {'D1S1': 'D1S1x50', 'D1S2': 'D1S2x50', 'D1T1': 'D1T1x50', 'D1e1': 'D1e1x50', 'ECL1': '23x50', 'ECL2': '45x50', 'H8': '8x50', 'ICL1': '12x50', 'ICL2': '34x50', 'TM1': '1x50', 'TM2': '2x50', 'TM3': '3x50', 'TM4': '4x50', 'TM5': '5x50', 'TM6': '6x50', 'TM7': '7x50'}
ROOT_URLCONF 'protwis.urls'
SECRET_KEY '********************'
SECURE_BROWSER_XSS_FILTER False
SECURE_CONTENT_TYPE_NOSNIFF False
SECURE_HSTS_INCLUDE_SUBDOMAINS False
SECURE_HSTS_PRELOAD False
SECURE_HSTS_SECONDS 0
SECURE_PROXY_SSL_HEADER None
SECURE_REDIRECT_EXEMPT []
SECURE_SSL_HOST None
SECURE_SSL_REDIRECT False
SERVER_EMAIL 'root@localhost'
SESSION_CACHE_ALIAS 'default'
SESSION_COOKIE_AGE 86400
SESSION_COOKIE_DOMAIN None
SESSION_COOKIE_HTTPONLY True
SESSION_COOKIE_NAME 'sessionid'
SESSION_COOKIE_PATH '/'
SESSION_COOKIE_SAMESITE 'Lax'
SESSION_COOKIE_SECURE False
SESSION_ENGINE 'django.contrib.sessions.backends.db'
SESSION_EXPIRE_AT_BROWSER_CLOSE False
SESSION_FILE_PATH None
SESSION_SAVE_EVERY_REQUEST False
SESSION_SERIALIZER 'django.contrib.sessions.serializers.PickleSerializer'
SETTINGS_MODULE 'protwis.settings'
SHORT_DATETIME_FORMAT 'm/d/Y P'
SHORT_DATE_FORMAT 'm/d/Y'
SIGNING_BACKEND 'django.core.signing.TimestampSigner'
SILENCED_SYSTEM_CHECKS []
SITE_NAME 'gpcr'
SITE_TITLE 'GPCRdb'
STATICFILES_DIRS ('/home/protwis/gpcrdb_test/static',)
STATICFILES_FINDERS ['django.contrib.staticfiles.finders.FileSystemFinder', 'django.contrib.staticfiles.finders.AppDirectoriesFinder']
STATICFILES_STORAGE 'django.contrib.staticfiles.storage.StaticFilesStorage'
STATIC_ROOT '/home/protwis/static_test/'
STATIC_URL '/static/'
SWAGGER_SETTINGS {'USE_SESSION_AUTH': False}
TEMPLATES [{'APP_DIRS': True, 'BACKEND': 'django.template.backends.django.DjangoTemplates', 'DIRS': [], 'OPTIONS': {'context_processors': ['django.contrib.auth.context_processors.auth', 'django.template.context_processors.debug', 'django.template.context_processors.i18n', 'django.template.context_processors.media', 'django.template.context_processors.static', 'django.template.context_processors.tz', 'django.contrib.messages.context_processors.messages', 'protwis.context_processors.current_site', 'protwis.context_processors.canonical_tag', 'protwis.context_processors.documentation_url', 'protwis.context_processors.google_analytics', 'protwis.context_processors.site_title'], 'debug': True}}]
TEST_NON_SERIALIZED_APPS []
TEST_RUNNER 'django.test.runner.DiscoverRunner'
THOUSAND_SEPARATOR ','
TIME_FORMAT 'P'
TIME_INPUT_FORMATS ['%H:%M:%S', '%H:%M:%S.%f', '%H:%M']
TIME_ZONE 'Europe/Copenhagen'
USE_I18N True
USE_L10N True
USE_THOUSAND_SEPARATOR False
USE_TZ True
USE_X_FORWARDED_HOST False
USE_X_FORWARDED_PORT False
WSGI_APPLICATION None
X_FRAME_OPTIONS 'SAMEORIGIN'
YEAR_MONTH_FORMAT 'F Y'

Headers

Request headers

Key Value
Accept text/html,application/xhtml+xml,application/xml;q=0.9,*/*;q=0.8
Accept-Encoding br,gzip
Accept-Language en-US,en;q=0.5
Connection close
Host test.gpcrdb.org
User-Agent CCBot/2.0 (https://commoncrawl.org/faq/)
X-Forwarded-For 35.172.111.47
X-Forwarded-Proto https
X-Real-Ip 35.172.111.47

Response headers

Key Value
Content-Length 951371
Content-Type text/html; charset=utf-8
Vary Cookie
X-Frame-Options SAMEORIGIN

WSGI environ

Since the WSGI environ inherits the environment of the server, only a significant subset is shown below.

Key Value
PATH_INFO /ligand/target/all/001_003_002_014/
QUERY_STRING
REMOTE_ADDR
REQUEST_METHOD GET
SCRIPT_NAME
SERVER_NAME test.gpcrdb.org
SERVER_PORT 443
SERVER_PROTOCOL HTTP/1.0
SERVER_SOFTWARE gunicorn/19.9.0

Request

View information

View function Arguments Keyword arguments URL name
ligand.views.TargetDetails () {'slug': '001_003_002_014'} ligand_target_detail

No cookies

No session data

No GET data

No POST data

SQL queries from 1 connection

  •   default 593.73 ms (670 queries including 668 similar and 619 duplicates )
  Query Timeline Time (ms) Action
  +
SELECT ••• "ligand_assayexperiment"."id", "ligand_assayexperiment"."ligand_id", "ligand_assayexperiment"."protein_id", "ligand_assayexperiment"."assay_id", "ligand_assayexperiment"."assay_type", "ligand_assayexperiment"."assay_description", "ligand_assayexperiment"."pchembl_value", "ligand_assayexperiment"."published_value", "ligand_assayexperiment"."published_relation", "ligand_assayexperiment"."published_type", "ligand_assayexperiment"."published_units", "ligand_assayexperiment"."standard_value", "ligand_assayexperiment"."standard_relation", "ligand_assayexperiment"."standard_type", "ligand_assayexperiment"."standard_units", "ligand_assayexperiment"."publication_id", "ligand_assayexperiment"."chembl", "ligand_assayexperiment"."smiles", "ligand_assayexperiment"."activity", "ligand_assayexperiment"."document_chembl_id", "ligand_assayexperiment"."cell_line" FROM "ligand_assayexperiment" INNER JOIN "ligand" ON ("ligand_assayexperiment"."ligand_id" = "ligand"."id") INNER JOIN "ligand_properities" ON ("ligand"."properities_id" = "ligand_properities"."id") INNER JOIN "ligand_properities_web_links" ON ("ligand_properities"."id" = "ligand_properities_web_links"."ligandproperities_id") INNER JOIN "web_link" ON ("ligand_properities_web_links"."weblink_id" = "web_link"."id") INNER JOIN "web_resource" ON ("web_link"."web_resource_id" = "web_resource"."id") INNER JOIN "protein" ON ("ligand_assayexperiment"."protein_id" = "protein"."id") INNER JOIN "protein_family" ON ("protein"."family_id" = "protein_family"."id") WHERE ("web_resource"."slug" = 'chembl_ligand' AND "protein_family"."slug" = '001_003_002_014')
38.28669959719599%
 227.32

Connection: default

/usr/lib/python3.6/concurrent/futures/thread.py in _worker(69)
  work_item.run()
/usr/lib/python3.6/concurrent/futures/thread.py in run(56)
  result = self.fn(*self.args, **self.kwargs)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle(279)
  keepalive = self.handle_request(req, conn)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle_request(328)
  respiter = self.wsgi(environ, resp.start_response)
/home/protwis/gpcrdb_test/common/middleware/stats.py in __call__(34)
  response = self.get_response(request)
/home/protwis/gpcrdb_test/ligand/views.py in TargetDetails(334)
  if not ps:
  +
SELECT ••• "ligand_assayexperiment"."standard_type", "ligand_assayexperiment"."standard_relation", "ligand_assayexperiment"."standard_value", "ligand_assayexperiment"."assay_description", "ligand_assayexperiment"."assay_type", "ligand_assayexperiment"."pchembl_value", "ligand_assayexperiment"."ligand_id", "ligand"."properities_id", "web_link"."index", "species"."common_name", "protein"."entry_name", "ligand_properities"."mw", "ligand_properities"."logp", "ligand_properities"."rotatable_bonds", "ligand_properities"."smiles", "ligand_properities"."hdon", "ligand_properities"."hacc", "ligand_assayexperiment"."protein_id", COUNT(DISTINCT "ligand_assayexperiment"."protein_id") AS "num_targets" FROM "ligand_assayexperiment" INNER JOIN "ligand" ON ("ligand_assayexperiment"."ligand_id" = "ligand"."id") INNER JOIN "ligand_properities" ON ("ligand"."properities_id" = "ligand_properities"."id") INNER JOIN "ligand_properities_web_links" ON ("ligand_properities"."id" = "ligand_properities_web_links"."ligandproperities_id") INNER JOIN "web_link" ON ("ligand_properities_web_links"."weblink_id" = "web_link"."id") INNER JOIN "web_resource" ON ("web_link"."web_resource_id" = "web_resource"."id") INNER JOIN "protein" ON ("ligand_assayexperiment"."protein_id" = "protein"."id") INNER JOIN "protein_family" ON ("protein"."family_id" = "protein_family"."id") INNER JOIN "species" ON ("protein"."species_id" = "species"."id") WHERE ("web_resource"."slug" = 'chembl_ligand' AND "protein_family"."slug" = '001_003_002_014') GROUP BY "ligand_assayexperiment"."standard_type", "ligand_assayexperiment"."standard_relation", "ligand_assayexperiment"."standard_value", "ligand_assayexperiment"."assay_description", "ligand_assayexperiment"."assay_type", "ligand_assayexperiment"."pchembl_value", "ligand_assayexperiment"."ligand_id", "ligand"."properities_id", "web_link"."index", "species"."common_name", "protein"."entry_name", "ligand_properities"."mw", "ligand_properities"."logp", "ligand_properities"."rotatable_bonds", "ligand_properities"."smiles", "ligand_properities"."hdon", "ligand_properities"."hacc", "ligand_assayexperiment"."protein_id"
3.548498108455511%
 21.07

Connection: default

/usr/lib/python3.6/concurrent/futures/thread.py in _worker(69)
  work_item.run()
/usr/lib/python3.6/concurrent/futures/thread.py in run(56)
  result = self.fn(*self.args, **self.kwargs)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle(279)
  keepalive = self.handle_request(req, conn)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle_request(328)
  respiter = self.wsgi(environ, resp.start_response)
/home/protwis/gpcrdb_test/common/middleware/stats.py in __call__(34)
  response = self.get_response(request)
/home/protwis/gpcrdb_test/ligand/views.py in TargetDetails(357)
  for record in ps:
  +
SELECT ••• "ligand_ligandvendorlink"."id", "ligand_ligandvendorlink"."vendor_id", "ligand_ligandvendorlink"."lp_id", "ligand_ligandvendorlink"."url", "ligand_ligandvendorlink"."vendor_external_id", "ligand_ligandvendorlink"."sid" FROM "ligand_ligandvendorlink" INNER JOIN "ligand_ligandvendors" ON ("ligand_ligandvendorlink"."vendor_id" = "ligand_ligandvendors"."id") WHERE ("ligand_ligandvendorlink"."lp_id" = 87373 AND NOT ("ligand_ligandvendors"."name" IN ('ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem')))
  668 similar queries.   Duplicated 5 times.
0.18612267713076333%
 1.11

Connection: default

/usr/lib/python3.6/concurrent/futures/thread.py in _worker(69)
  work_item.run()
/usr/lib/python3.6/concurrent/futures/thread.py in run(56)
  result = self.fn(*self.args, **self.kwargs)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle(279)
  keepalive = self.handle_request(req, conn)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle_request(328)
  respiter = self.wsgi(environ, resp.start_response)
/home/protwis/gpcrdb_test/common/middleware/stats.py in __call__(34)
  response = self.get_response(request)
/home/protwis/gpcrdb_test/ligand/views.py in TargetDetails(359)
  vendor__name__in=['ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem'])) > 0 else 'No'
  +
SELECT ••• "ligand_ligandvendorlink"."id", "ligand_ligandvendorlink"."vendor_id", "ligand_ligandvendorlink"."lp_id", "ligand_ligandvendorlink"."url", "ligand_ligandvendorlink"."vendor_external_id", "ligand_ligandvendorlink"."sid" FROM "ligand_ligandvendorlink" INNER JOIN "ligand_ligandvendors" ON ("ligand_ligandvendorlink"."vendor_id" = "ligand_ligandvendors"."id") WHERE ("ligand_ligandvendorlink"."lp_id" = 87373 AND NOT ("ligand_ligandvendors"."name" IN ('ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem')))
  668 similar queries.   Duplicated 5 times.
0.08557225997101546%
 0.51

Connection: default

/usr/lib/python3.6/concurrent/futures/thread.py in _worker(69)
  work_item.run()
/usr/lib/python3.6/concurrent/futures/thread.py in run(56)
  result = self.fn(*self.args, **self.kwargs)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle(279)
  keepalive = self.handle_request(req, conn)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle_request(328)
  respiter = self.wsgi(environ, resp.start_response)
/home/protwis/gpcrdb_test/common/middleware/stats.py in __call__(34)
  response = self.get_response(request)
/home/protwis/gpcrdb_test/ligand/views.py in TargetDetails(359)
  vendor__name__in=['ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem'])) > 0 else 'No'
  +
SELECT ••• "ligand_ligandvendorlink"."id", "ligand_ligandvendorlink"."vendor_id", "ligand_ligandvendorlink"."lp_id", "ligand_ligandvendorlink"."url", "ligand_ligandvendorlink"."vendor_external_id", "ligand_ligandvendorlink"."sid" FROM "ligand_ligandvendorlink" INNER JOIN "ligand_ligandvendors" ON ("ligand_ligandvendorlink"."vendor_id" = "ligand_ligandvendors"."id") WHERE ("ligand_ligandvendorlink"."lp_id" = 22623 AND NOT ("ligand_ligandvendors"."name" IN ('ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem')))
  668 similar queries.   Duplicated 2 times.
0.0812354208922404%
 0.48

Connection: default

/usr/lib/python3.6/concurrent/futures/thread.py in _worker(69)
  work_item.run()
/usr/lib/python3.6/concurrent/futures/thread.py in run(56)
  result = self.fn(*self.args, **self.kwargs)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle(279)
  keepalive = self.handle_request(req, conn)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle_request(328)
  respiter = self.wsgi(environ, resp.start_response)
/home/protwis/gpcrdb_test/common/middleware/stats.py in __call__(34)
  response = self.get_response(request)
/home/protwis/gpcrdb_test/ligand/views.py in TargetDetails(359)
  vendor__name__in=['ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem'])) > 0 else 'No'
  +
SELECT ••• "ligand_ligandvendorlink"."id", "ligand_ligandvendorlink"."vendor_id", "ligand_ligandvendorlink"."lp_id", "ligand_ligandvendorlink"."url", "ligand_ligandvendorlink"."vendor_external_id", "ligand_ligandvendorlink"."sid" FROM "ligand_ligandvendorlink" INNER JOIN "ligand_ligandvendors" ON ("ligand_ligandvendorlink"."vendor_id" = "ligand_ligandvendors"."id") WHERE ("ligand_ligandvendorlink"."lp_id" = 88111 AND NOT ("ligand_ligandvendors"."name" IN ('ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem')))
  668 similar queries.   Duplicated 2 times.
0.08934691620624562%
 0.53

Connection: default

/usr/lib/python3.6/concurrent/futures/thread.py in _worker(69)
  work_item.run()
/usr/lib/python3.6/concurrent/futures/thread.py in run(56)
  result = self.fn(*self.args, **self.kwargs)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle(279)
  keepalive = self.handle_request(req, conn)
/home/protwis/gpcrdb_env/lib/python3.6/site-packages/gunicorn/workers/gthread.py in handle_request(328)
  respiter = self.wsgi(environ, resp.start_response)
/home/protwis/gpcrdb_test/common/middleware/stats.py in __call__(34)
  response = self.get_response(request)
/home/protwis/gpcrdb_test/ligand/views.py in TargetDetails(359)
  vendor__name__in=['ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem'])) > 0 else 'No'
  +
SELECT ••• "ligand_ligandvendorlink"."id", "ligand_ligandvendorlink"."vendor_id", "ligand_ligandvendorlink"."lp_id", "ligand_ligandvendorlink"."url", "ligand_ligandvendorlink"."vendor_external_id", "ligand_ligandvendorlink"."sid" FROM "ligand_ligandvendorlink" INNER JOIN "ligand_ligandvendors" ON ("ligand_ligandvendorlink"."vendor_id" = "ligand_ligandvendors"."id") WHERE ("ligand_ligandvendorlink"."lp_id" = 86148 AND NOT ("ligand_ligandvendors"."name" IN ('ZINC', 'ChEMBL', 'BindingDB', 'SureChEMBL', 'eMolecules', 'MolPort', 'PubChem')))
  668 similar queries.   Duplicated 2 times.
0.09043112597593937%
 0.54

Connection: default

/usr/lib/python3.6/concurrent/futures/thread.py in _worker(69)
  work_item.run()
/usr/lib/python3.6/concurrent/futures/thread.py in run(56)
  result = self.fn(*self.args, **self.kwargs)
/home/protwis/gpcrdb_env/lib/p