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Ligand source activities (1 row/activity)
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 | |
1,10-Phenanthroline | 6 | None | 76 | Human | Binding | IC50 | = | 53000.00 | 4.28 | - | 5 | Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs | ChEMBL | 180.1 | 0 | 0 | 2 | 2.78 | c1cnc2c(c1)ccc1cccnc12 | https://dx.doi.org/10.1021/jm301121j | |
1,10-Phenanthroline | 6 | None | 76 | Human | Binding | IC50 | = | 50118.72 | 4.30 | - | 5 | Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs | ChEMBL | 180.1 | 0 | 0 | 2 | 2.78 | c1cnc2c(c1)ccc1cccnc12 | https://dx.doi.org/10.1021/jm301121j | |
ancriviroc | 415 | None | 10 | Human | Binding | pKi | = | - | 8.25 | -1 | 2 | Unclassified | Guide to Pharmacology | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://pubmed.ncbi.nlm.nih.gov/16476734 | |
ancriviroc | 415 | None | 10 | Human | Binding | pKi | = | - | 8.25 | -1 | 2 | Unclassified | Guide to Pharmacology | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://pubmed.ncbi.nlm.nih.gov/16304152 | |
ancriviroc | 415 | None | 10 | Human | Binding | pKi | = | - | 8.25 | -1 | 2 | Unclassified | Guide to Pharmacology | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://pubmed.ncbi.nlm.nih.gov/11585437 | |
ancriviroc | 415 | None | 10 | Human | Binding | pKd | None | - | 8.90 | -1 | 2 | Unclassified | Guide to Pharmacology | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://pubmed.ncbi.nlm.nih.gov/16304152 | |
ancriviroc | 415 | None | 10 | Human | Binding | Ki | = | 2.00 | 8.70 | -1 | 2 | Binding affinity to CCR5 | ChEMBL | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://dx.doi.org/10.1021/jm300682j | |
ancriviroc | 415 | None | 10 | Human | Binding | Ki | = | 2.10 | 8.68 | -1 | 2 | Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5) | ChEMBL | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://dx.doi.org/10.1021/jm030265z | |
ancriviroc | 415 | None | 10 | Human | Binding | Ki | = | 2.10 | 8.68 | -1 | 2 | Inhibition of RANTES binding to C-C chemokine receptor type 5 | ChEMBL | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://dx.doi.org/10.1021/jm015526o | |
ancriviroc | 415 | None | 10 | Mouse | Binding | Ki | = | 2.10 | 8.68 | 1 | 2 | Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells | ChEMBL | 556.2 | 6 | 0 | 5 | 4.85 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | https://dx.doi.org/10.1021/jm0200815 | |
aplaviroc | 443 | None | 22 | Human | Binding | pKi | = | - | 8.50 | - | 4 | Unclassified | Guide to Pharmacology | 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://pubmed.ncbi.nlm.nih.gov/16476734 | |
aplaviroc | 443 | None | 22 | Human | Binding | Kd | = | 3.00 | 8.52 | - | 4 | Binding affinity to CCR5 | 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/10.1021/jm300682j | |
aplaviroc | 443 | None | 22 | Human | Binding | IC50 | = | 5.80 | 8.24 | - | 4 | Displacement of MIP-1alpha from human CCR5 expressed in CHO cells | 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 | |
aplaviroc | 443 | None | 22 | Mouse | Binding | IC50 | = | 0.40 | 9.40 | - | 4 | Displacement of [125I]-RANTES from CCR5 in mouse NIH/3T3 cells after 1 hr | 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.ejmech.2018.01.085 | |
AZD-5363 | 82603 | None | 0 | Human | Binding | IC50 | = | 0.17 | 9.77 | - | 1 | Binding affinity to CCR5 | ChEMBL | 638.3 | 11 | 0 | 6 | 5.00 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCC(S(C)(=O)=O)CC2)CC1 | https://dx.doi.org/10.1021/jm300682j | |
AZD5672 | 550 | None | 1 | Human | Binding | pIC50 | = | - | 9.59 | - | 1 | Displacement of [125I]MIP-1α from human recombinant CCR5 expressed in CHO cells | Guide to Pharmacology | 639.3 | 11 | 0 | 6 | 4.07 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | https://pubmed.ncbi.nlm.nih.gov/22266038 | |
AZD5672 | 550 | None | 1 | Human | Binding | IC50 | = | 0.26 | 9.59 | - | 1 | Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells | ChEMBL | 639.3 | 11 | 0 | 6 | 4.07 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | https://dx.doi.org/10.1016/j.bmcl.2011.12.117 | |
BMS-681 | 672 | None | 2 | Human | Binding | IC50 | = | 2.40 | 8.62 | - | 5 | Antagonist activity at CCR5 (unknown origin) expressed in human HT1080 cells assessed as blockade of MIP1beta-binding to receptor | ChEMBL | 491.3 | 7 | 1 | 5 | 5.34 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | https://dx.doi.org/10.1021/acsmedchemlett.8b00439 | |
BMS-681 | 672 | None | 2 | Human | Binding | IC50 | = | 4.30 | 8.37 | - | 5 | Antagonist activity against CCR5 in whole blood (unknown origin) assessed as reduction in CD11b upregulation | ChEMBL | 491.3 | 7 | 1 | 5 | 5.34 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | https://dx.doi.org/10.1021/ml500505q | |
BMS-681 | 672 | None | 2 | Human | Binding | IC50 | = | 2.40 | 8.62 | - | 5 | Inhibition of [125I]MCP1-beta binding to CCR5 in human HT1080 cell membranes incubated for 4 to 6 hrs | ChEMBL | 491.3 | 7 | 1 | 5 | 5.34 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | https://dx.doi.org/10.1021/ml500505q |
Showing 1 to 20 of 2,322 entries
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 | |
1,10-Phenanthroline | 6 | None | 76 | Human | Functional | EC50 | = | 4900.00 | 5.31 | -4 | 5 | Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis | ChEMBL | 180.1 | 0 | 0 | 2 | 2.78 | c1cnc2c(c1)ccc1cccnc12 | https://dx.doi.org/10.1021/jm301121j | |
1,10-Phenanthroline | 6 | None | 76 | Human | Functional | EC50 | = | 5011.87 | 5.30 | -4 | 5 | Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis | ChEMBL | 180.1 | 0 | 0 | 2 | 2.78 | c1cnc2c(c1)ccc1cccnc12 | https://dx.doi.org/10.1021/jm301121j | |
ABAMETAPIR | 83821 | None | 63 | Human | Functional | EC50 | = | 2300.00 | 5.64 | 2 | 3 | Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis | ChEMBL | 184.1 | 1 | 0 | 2 | 2.76 | Cc1ccc(-c2ccc(C)cn2)nc1 | https://dx.doi.org/10.1021/jm301121j | |
ABAMETAPIR | 83821 | None | 63 | Human | Functional | EC50 | = | 2511.89 | 5.60 | 2 | 3 | Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis | ChEMBL | 184.1 | 1 | 0 | 2 | 2.76 | Cc1ccc(-c2ccc(C)cn2)nc1 | https://dx.doi.org/10.1021/jm301121j | |
ABAMETAPIR | 83821 | None | 63 | Human | Functional | pEC50 | = | 5.64 | 8.25 | 2 | 3 | Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis | Drug Central | 184.1 | 1 | 0 | 2 | 2.76 | Cc1ccc(-c2ccc(C)cn2)nc1 | - | |
ABAMETAPIR | 83821 | None | 63 | Human | Functional | pEC50 | = | 5.64 | 8.25 | 2 | 3 | Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis | Drug Central | 184.1 | 1 | 0 | 2 | 2.76 | Cc1ccc(-c2ccc(C)cn2)nc1 | - | |
aplaviroc | 443 | None | 22 | Human | Functional | IC50 | = | 5.80 | 8.24 | -123 | 4 | Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced chemotaxis | 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 | |
aplaviroc | 443 | None | 22 | Human | Functional | IC50 | = | 46.00 | 7.34 | -123 | 4 | Antagonist activity at human CCR5 assessed as inhibition of RANTES-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 | |
aplaviroc | 443 | None | 22 | Human | Functional | IC50 | = | 5600.00 | 5.25 | -123 | 4 | Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay | 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 | |
aplaviroc | 443 | None | 22 | Human | Functional | IC50 | = | 5.62 | 8.25 | -123 | 4 | Antagonist activity at human CCR5 expressed in HOS cells assessed as inhibition of cell fusion with HIV gp120 expressing HEK293 cells by LTR luciferase assay | 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.bmcl.2010.12.109 | |
aplaviroc | 443 | None | 22 | Human | Functional | IC50 | = | 34.00 | 7.47 | -123 | 4 | Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay | 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.bmcl.2010.12.109 | |
aplaviroc | 443 | None | 22 | Rabbit | Functional | IC50 | = | 30000.00 | 4.52 | -75857 | 4 | Antagonist activity at rabbit CCR5 assessed as inhibition of RANTES-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 | |
AZD5672 | 550 | None | 1 | Human | Functional | IC50 | = | 0.69 | 9.16 | - | 1 | Antagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxis | ChEMBL | 639.3 | 11 | 0 | 6 | 4.07 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | https://dx.doi.org/10.1016/j.bmcl.2011.12.117 | |
BMS-681 | 672 | None | 2 | Human | Functional | pIC50 | = | - | 8.62 | -3 | 5 | Unclassified | Guide to Pharmacology | 491.3 | 7 | 1 | 5 | 5.34 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | https://pubmed.ncbi.nlm.nih.gov/25893046 | |
BMS-753426 | 674 | None | 6 | Human | Functional | pIC50 | = | - | 7.08 | -11 | 2 | Unclassified | Guide to Pharmacology | 506.3 | 5 | 3 | 6 | 3.48 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | https://pubmed.ncbi.nlm.nih.gov/34141082 | |
BMS-753426 | 674 | None | 6 | Human | Functional | IC50 | = | 34.70 | 7.46 | -11 | 2 | Antagonist activity at CCR5 in human whole blood assessed as inhibition of MIP-1beta-induced CD11b upregulation | ChEMBL | 506.3 | 5 | 3 | 6 | 3.48 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | https://dx.doi.org/10.1021/acsmedchemlett.1c00373 | |
BMS-753426 | 674 | None | 6 | Human | Functional | IC50 | = | 1.10 | 8.96 | -11 | 2 | Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis | ChEMBL | 506.3 | 5 | 3 | 6 | 3.48 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | https://dx.doi.org/10.1021/acsmedchemlett.1c00373 | |
BMS-813160 | 176321 | None | 34 | Human | Functional | IC50 | = | 5.70 | 8.24 | 1 | 3 | Antagonist activity at CCR5 in human whole blood assessed as inhibition of MIP-1beta-induced CD11b upregulation | ChEMBL | 484.3 | 5 | 3 | 8 | 2.25 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | https://dx.doi.org/10.1021/acsmedchemlett.1c00373 | |
BMS-813160 | 176321 | None | 34 | Human | Functional | IC50 | = | 1.10 | 8.96 | 1 | 3 | Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis | ChEMBL | 484.3 | 5 | 3 | 8 | 2.25 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | https://dx.doi.org/10.1021/acsmedchemlett.1c00373 | |
CCL11 | 827 | None | 0 | Human | Functional | pIC50 | = | - | 7.70 | -14 | 4 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/10477718 |
Showing 1 to 20 of 878 entries