Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359137'   

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))	BDBM50359137 (CHEMBL1922821) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1c(F)cccc1F |(8.48,-39.47,;9.81,-40.25,;11.14,-39.48,;9.8,-41.79,;8.47,-42.55,;8.47,-44.09,;7.13,-44.85,;7.12,-46.39,;8.45,-47.16,;9.79,-46.4,;9.8,-44.85,;8.45,-48.7,;7.21,-49.61,;7.69,-51.08,;9.22,-51.07,;10.25,-52.21,;11.75,-51.89,;12.22,-50.42,;11.19,-49.28,;9.7,-49.61,;11.14,-42.56,;11.12,-44.1,;12.45,-44.88,;13.79,-44.12,;13.79,-42.57,;12.46,-41.79,;15.11,-44.89,;15.1,-46.43,;16.45,-44.13,;17.78,-44.91,;19.12,-44.15,;19.12,-42.62,;17.79,-41.85,;20.45,-41.86,;21.79,-42.63,;21.78,-44.18,;20.44,-44.94,;20.43,-46.48,)| Show InChI InChI=1S/C30H34F2N4O2/c31-25-5-3-6-26(32)23(25)12-13-28(37)36-16-14-20(15-17-36)29(30(33)38)35-21-10-8-19(9-11-21)24-18-34-27-7-2-1-4-22(24)27/h1-7,12-13,18-21,29,34-35H,8-11,14-17H2,(H2,33,38)/b13-12+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	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
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