Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359119'   

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))	BDBM50359119 (CHEMBL1922797) Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)C=Cc1cc(F)c(F)c(F)c1 |w:28.31,(-7.99,-10.33,;-6.66,-11.1,;-5.32,-10.34,;-6.66,-12.64,;-8,-13.41,;-8,-14.95,;-9.34,-15.71,;-9.34,-17.24,;-8.01,-18.02,;-6.67,-17.25,;-6.67,-15.71,;-8.02,-19.56,;-9.26,-20.47,;-8.78,-21.93,;-7.24,-21.92,;-6.22,-23.06,;-4.71,-22.74,;-4.24,-21.27,;-5.27,-20.14,;-6.77,-20.46,;-5.33,-13.42,;-5.34,-14.96,;-4.02,-15.73,;-2.68,-14.97,;-2.67,-13.43,;-4,-12.65,;-1.35,-15.75,;-1.36,-17.29,;-.01,-14.99,;1.32,-15.77,;2.65,-15.01,;2.66,-13.48,;3.99,-12.71,;3.99,-11.17,;5.33,-13.49,;6.66,-12.73,;5.31,-15.03,;6.64,-15.81,;3.98,-15.79,)| Show InChI InChI=1S/C29H32F3N5O2/c30-22-14-17(15-23(31)26(22)32)3-8-25(38)37-12-9-19(10-13-37)27(29(33)39)36-20-6-4-18(5-7-20)21-16-35-24-2-1-11-34-28(21)24/h1-3,8,11,14-16,18-20,27,35-36H,4-7,9-10,12-13H2,(H2,33,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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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