Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50224501'   

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))	BDBM50224501 ((E)-2-(4-(7-methoxy-1H-indol-3-yl)piperidin-1-yl)-...) Show SMILES COc1cccc2c(c[nH]c12)C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:17.41| Show InChI InChI=1S/C30H32F3N3O4/c1-40-25-4-2-3-21-22(17-34-28(21)25)19-7-13-36(14-8-19)29(30(38)39)20-9-11-35(12-10-20)26(37)6-5-18-15-23(31)27(33)24(32)16-18/h2-6,15-17,19-20,29,34H,7-14H2,1H3,(H,38,39)/b6-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human CCR2				J Med Chem 50: 5561-3 (2007) Article DOI: 10.1021/jm070902b BindingDB Entry DOI: 10.7270/Q24M948Q
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