Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359102'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359102 (CHEMBL1922813) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(F)cc1 |(25.38,-9.34,;26.71,-10.12,;28.05,-9.35,;26.71,-11.66,;25.37,-12.42,;25.37,-13.96,;24.03,-14.72,;24.03,-16.26,;25.36,-17.03,;26.69,-16.27,;26.7,-14.72,;25.35,-18.57,;24.11,-19.48,;24.59,-20.95,;26.12,-20.94,;27.15,-22.08,;28.65,-21.76,;29.13,-20.29,;28.09,-19.15,;26.6,-19.47,;28.04,-12.43,;28.02,-13.97,;29.35,-14.74,;30.69,-13.98,;30.69,-12.44,;29.36,-11.66,;32.02,-14.76,;32,-16.3,;33.35,-14,;34.68,-14.78,;36.02,-14.02,;37.34,-14.8,;38.68,-14.04,;38.69,-12.5,;40.03,-11.74,;37.35,-11.72,;36.02,-12.49,)| Show InChI InChI=1S/C30H35FN4O2/c31-23-10-5-20(6-11-23)7-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-24-12-8-21(9-13-24)26-19-33-27-4-2-1-3-25(26)27/h1-7,10-11,14,19,21-22,24,29,33-34H,8-9,12-13,15-18H2,(H2,32,37)/b14-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica NV US Patent					Assay Description MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,...				US Patent US8921559 (2014) BindingDB Entry DOI: 10.7270/Q270804M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359102 (CHEMBL1922813) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(F)cc1 |(25.38,-9.34,;26.71,-10.12,;28.05,-9.35,;26.71,-11.66,;25.37,-12.42,;25.37,-13.96,;24.03,-14.72,;24.03,-16.26,;25.36,-17.03,;26.69,-16.27,;26.7,-14.72,;25.35,-18.57,;24.11,-19.48,;24.59,-20.95,;26.12,-20.94,;27.15,-22.08,;28.65,-21.76,;29.13,-20.29,;28.09,-19.15,;26.6,-19.47,;28.04,-12.43,;28.02,-13.97,;29.35,-14.74,;30.69,-13.98,;30.69,-12.44,;29.36,-11.66,;32.02,-14.76,;32,-16.3,;33.35,-14,;34.68,-14.78,;36.02,-14.02,;37.34,-14.8,;38.68,-14.04,;38.69,-12.5,;40.03,-11.74,;37.35,-11.72,;36.02,-12.49,)| Show InChI InChI=1S/C30H35FN4O2/c31-23-10-5-20(6-11-23)7-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-24-12-8-21(9-13-24)26-19-33-27-4-2-1-3-25(26)27/h1-7,10-11,14,19,21-22,24,29,33-34H,8-9,12-13,15-18H2,(H2,32,37)/b14-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CCR2				Bioorg Med Chem Lett 21: 7496-501 (2011) Article DOI: 10.1016/j.bmcl.2011.09.113 BindingDB Entry DOI: 10.7270/Q22J6C9M
					More data for this Ligand-Target Pair