BMS-681 [Ligand Id: 9430] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3577945
  • CCR2/C-C chemokine receptor type 2 in Human [ChEMBL: CHEMBL4015] [GtoPdb: 59] [UniProtKB: P41597]
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  • CCR5/C-C chemokine receptor type 5 in Human [ChEMBL: CHEMBL274] [GtoPdb: 62] [UniProtKB: P51681]
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  • M1 receptor/Muscarinic acetylcholine receptor M1 in Human [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
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  • M2 receptor/Muscarinic acetylcholine receptor M2 in Human [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
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  • M4 receptor/Muscarinic acetylcholine receptor M4 in Human [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CCR2/C-C chemokine receptor type 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4015] [GtoPdb: 59] [UniProtKB: P41597]
ChEMBL Antagonist activity against CCR2 in whole blood (unknown origin) assessed as reduction in CD11b upregulation B 8.33 pIC50 4.7 nM IC50 ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
GtoPdb - - 9.15 pIC50 0.7 nM IC50 ACS Med Chem Lett (2015) 6: 439-44 [PMID:25893046]
ChEMBL Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature B 9.15 pIC50 0.7 nM IC50 ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
ChEMBL Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins B 9.15 pIC50 0.7 nM IC50 ACS Med Chem Lett (2019) 10: 300-305 [PMID:30891130]
ChEMBL Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC B 9.62 pIC50 0.24 nM IC50 ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
CCR5/C-C chemokine receptor type 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL274] [GtoPdb: 62] [UniProtKB: P51681]
ChEMBL Antagonist activity against CCR5 in whole blood (unknown origin) assessed as reduction in CD11b upregulation B 8.37 pIC50 4.3 nM IC50 ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
ChEMBL Inhibition of [125I]MCP1-beta binding to CCR5 in human HT1080 cell membranes incubated for 4 to 6 hrs B 8.62 pIC50 2.4 nM IC50 ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
ChEMBL Antagonist activity at CCR5 (unknown origin) expressed in human HT1080 cells assessed as blockade of MIP1beta-binding to receptor B 8.62 pIC50 2.4 nM IC50 ACS Med Chem Lett (2019) 10: 300-305 [PMID:30891130]
GtoPdb - - 8.62 pIC50 2.4 nM IC50 ACS Med Chem Lett (2015) 6: 439-44 [PMID:25893046]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG expressed in HEK293 cells assessed as reduction in peak tail current at holding potential of 80 mV to +20 mV by whole cell patch clamp assay B 5.74 pIC50 1800 nM IC50 ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
ChEMBL Inhibition of muscarinic acetylcholine receptor M1 (unknown origin) B 6.47 pKi 341 nM Ki ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
ChEMBL Inhibition of muscarinic acetylcholine receptor M2 (unknown origin) B 5.4 pKi 4010 nM Ki ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]
M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
ChEMBL Inhibition of muscarinic acetylcholine receptor M4 (unknown origin) B 6.06 pKi 865 nM Ki ACS Med Chem Lett (2015) 6: 439-444 [PMID:25893046]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]