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Ligand source activities (1 row/activity)

Affinity
Potency

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

CHEMBL1088913	7730	None	17	Human	Binding	IC50	=	36.00	7.44	-	1	Binding affinity to human CXCR4 expressed in HEK293 cells	ChEMBL	349.2	7	2	4	3.58	NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1016/j.bmcl.2010.03.118
CHEMBL1088913	7730	None	17	Human	Binding	IC50	=	22.00	7.66	-	1	Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting	ChEMBL	349.2	7	2	4	3.58	NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1089434	7796	None	0	Human	Binding	IC50	=	250.00	6.60	-	1	Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry	ChEMBL	488.3	9	2	5	5.72	c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)nc1	https://dx.doi.org/10.1021/jm100073m
CHEMBL1090509	7969	None	0	Human	Binding	IC50	=	29200.00	4.54	-	1	Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry	ChEMBL	488.3	9	2	5	5.72	c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1	https://dx.doi.org/10.1021/jm100073m
CHEMBL1091591	8112	None	0	Human	Binding	IC50	=	76.00	7.12	-	1	Inhibition of human CXCR4	ChEMBL	389.3	4	0	5	4.21	CN1CCC(n2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)CC1	https://dx.doi.org/10.1016/j.bmcl.2010.02.053
CHEMBL1092637	8297	None	0	Human	Binding	IC50	=	4.50	8.35	-	1	Inhibition of human CXCR4	ChEMBL	431.3	6	0	5	5.06	CC(C)N1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1	https://dx.doi.org/10.1016/j.bmcl.2010.02.053
CHEMBL1093137	8372	None	0	Human	Binding	IC50	=	120.00	6.92	-	1	Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry	ChEMBL	488.3	9	2	5	5.72	c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1	https://dx.doi.org/10.1021/jm100073m
CHEMBL1093149	8374	None	5	Human	Binding	IC50	=	206.00	6.69	-	1	Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting	ChEMBL	349.2	7	2	4	3.58	NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1094864	8605	None	0	Human	Binding	IC50	=	16.00	7.80	-	1	Binding affinity to human CXCR4 expressed in HEK293 cells	ChEMBL	417.3	7	1	5	3.32	CN(C)CC(=O)NCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12	https://dx.doi.org/10.1016/j.bmcl.2010.03.118
CHEMBL1096504	8779	None	0	Human	Binding	IC50	=	3.40	8.47	-	1	Binding affinity to human CXCR4 expressed in HEK293 cells	ChEMBL	388.3	7	0	4	4.63	CN(C)CCCc1c(CN(C)[C@H]2CCCc3cccnc32)ncc2ccccc12	https://dx.doi.org/10.1016/j.bmcl.2010.03.118
CHEMBL1189096	12925	None	0	Human	Binding	IC50	=	5737.00	5.24	-	1	Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells	ChEMBL	638.3	4	4	8	4.73	Clc1cc2nc(c1)CNCCCN(Cc1ccc(CN3CCCNCc4cc(Cl)cc(n4)CNCCC3)cc1)CCCNC2	https://dx.doi.org/10.1021/jm990211i
CHEMBL122226	15683	None	10	Human	Binding	Ki	=	170.00	6.77	-	1	Binding affinity to CXCR4 (unknown origin) assessed as inhibition constant	ChEMBL	304.3	2	3	4	1.36	Cc1ccc(CN2CCCNCCNCCCNCC2)cc1	https://dx.doi.org/10.1021/acs.jmedchem.6b01309
CHEMBL1242210	16663	None	12	Human	Binding	IC50	=	0.34	9.47	-	4	Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay	ChEMBL	420.3	5	1	7	2.48	CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1	https://dx.doi.org/10.1128/aac.01293-09
CHEMBL1242211	16664	None	8	Human	Binding	IC50	=	1.60	8.80	-	1	Inhibition of Mab 12G5 binding to CXCR4 E288A/L290A mutant expressed in HEK293 cells	ChEMBL	479.4	17	1	6	4.68	CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1	https://dx.doi.org/10.1128/aac.01727-08
CHEMBL1242211	16664	None	8	Human	Binding	IC50	=	1.20	8.92	-	1	Inhibition of Mab 12G5 binding to CXCR4 I284A mutant expressed in HEK293 cells	ChEMBL	479.4	17	1	6	4.68	CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1	https://dx.doi.org/10.1128/aac.01727-08
CHEMBL1242211	16664	None	8	Human	Binding	IC50	=	1.30	8.89	-	1	Inhibition of Mab 12G5 binding to CXCR4 W283A mutant expressed in HEK293 cells	ChEMBL	479.4	17	1	6	4.68	CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1	https://dx.doi.org/10.1128/aac.01727-08
CHEMBL1242211	16664	None	8	Human	Binding	IC50	=	14.10	7.85	-	1	Inhibition of Mab 12G5 binding to CXCR4 H281A mutant expressed in HEK293 cells	ChEMBL	479.4	17	1	6	4.68	CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1	https://dx.doi.org/10.1128/aac.01727-08
CHEMBL1242211	16664	None	8	Human	Binding	IC50	=	1.00	9.00	-	1	Inhibition of Mab 12G5 binding to CXCR4 V280A mutant expressed in HEK293 cells	ChEMBL	479.4	17	1	6	4.68	CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1	https://dx.doi.org/10.1128/aac.01727-08
CHEMBL1242211	16664	None	8	Human	Binding	IC50	=	3.10	8.51	-	1	Inhibition of Mab 12G5 binding to CXCR4 E277A mutant expressed in HEK293 cells	ChEMBL	479.4	17	1	6	4.68	CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1	https://dx.doi.org/10.1128/aac.01727-08
CHEMBL1242211	16664	None	8	Human	Binding	IC50	=	1.00	9.00	-	1	Inhibition of Mab 12G5 binding to CXCR4 E275A mutant expressed in HEK293 cells	ChEMBL	479.4	17	1	6	4.68	CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1	https://dx.doi.org/10.1128/aac.01727-08

Showing 1 to 20 of 797 entries

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

ALX40-4C	372	None	0	Human	Functional	pIC50	=	-	6.10	3	2	Unclassified	Guide to Pharmacology	-	-	-	-	-	-	https://pubmed.ncbi.nlm.nih.gov/11923301
aplaviroc	443	None	22	Human	Functional	IC50	=	30000.00	4.52	-75857	4	Antagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilization	ChEMBL	577.3	10	3	6	4.58	CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2	https://dx.doi.org/10.1016/j.bmc.2011.05.022
CHEMBL1088867	7717	None	0	Human	Functional	IC50	=	1402.00	5.85	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	397.2	6	2	4	4.50	NCc1cccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c1	https://dx.doi.org/10.1021/jm100073m
CHEMBL1088912	7729	None	0	Human	Functional	IC50	=	68.00	7.17	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	335.2	6	2	4	3.19	NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1088913	7730	None	17	Human	Functional	IC50	=	13.00	7.89	-	1	Antagonist activity at CXCR4 (unknown origin)	ChEMBL	349.2	7	2	4	3.58	NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1016/j.ejmech.2017.08.027
CHEMBL1088913	7730	None	17	Human	Functional	IC50	=	11.00	7.96	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	349.2	7	2	4	3.58	NCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1088916	7731	None	0	Human	Functional	IC50	=	75.00	7.12	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	377.3	9	2	4	4.36	NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1089844	7866	None	0	Human	Functional	IC50	=	77.00	7.11	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	347.2	6	2	4	3.35	NC/C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1089845	7867	None	0	Human	Functional	IC50	=	160.00	6.80	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	347.2	6	2	4	3.35	NC/C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1089846	7868	None	0	Human	Functional	IC50	=	973.00	6.01	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	345.2	4	2	4	2.80	NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1092301	8240	None	0	Human	Functional	IC50	=	87.00	7.06	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	377.3	8	1	4	4.18	CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1092302	8241	None	0	Human	Functional	IC50	=	190.00	6.72	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	363.2	8	2	4	3.84	CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1092324	8245	None	0	Human	Functional	IC50	=	119.00	6.92	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	397.2	6	2	4	4.50	NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1	https://dx.doi.org/10.1021/jm100073m
CHEMBL1092596	8286	None	0	Human	Functional	IC50	=	514.00	6.29	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	363.2	8	2	4	3.97	NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1092628	8293	None	0	Human	Functional	IC50	=	442.00	6.36	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	359.2	7	1	4	4.53	N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1092629	8294	None	0	Human	Functional	IC50	=	3200.00	5.50	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	363.2	6	2	4	3.10	NCCCC(=O)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1093008	8357	None	0	Human	Functional	IC50	=	28.00	7.55	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling	ChEMBL	397.2	6	2	4	4.50	NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1016/j.bmcl.2010.11.023
CHEMBL1093008	8357	None	0	Human	Functional	IC50	=	50.00	7.30	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	397.2	6	2	4	4.50	NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1093302	8394	None	0	Human	Functional	IC50	=	1369.00	5.86	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux	ChEMBL	321.2	5	2	4	2.80	NCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21	https://dx.doi.org/10.1021/jm100073m
CHEMBL1099015	9074	None	0	Human	Functional	IC50	=	74.00	7.13	-	1	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling	ChEMBL	310.2	7	1	4	3.10	NCCCCN(Cc1ccccn1)C1CCCc2cccnc21	https://dx.doi.org/10.1016/j.bmcl.2011.01.021

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Ligand source activities (1 row/activity)