Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359123'   

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))	BDBM50359123 (CHEMBL1922793) Show SMILES NC(=O)C(NC1CCC(CC1)C1CNc2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-8.49,5.51,;-7.15,4.74,;-5.82,5.51,;-7.16,3.2,;-8.5,2.43,;-8.5,.89,;-9.84,.13,;-9.84,-1.4,;-8.51,-2.18,;-7.17,-1.41,;-7.17,.13,;-8.51,-3.72,;-9.76,-4.63,;-9.28,-6.09,;-7.74,-6.08,;-6.71,-7.22,;-5.21,-6.9,;-4.74,-5.43,;-5.77,-4.3,;-7.27,-4.62,;-5.83,2.43,;-5.84,.88,;-4.52,.11,;-3.18,.87,;-3.17,2.41,;-4.5,3.19,;-1.85,.09,;-1.86,-1.45,;-.51,.85,;.82,.07,;2.16,.83,;2.16,2.37,;3.49,3.13,;3.49,4.67,;4.83,2.35,;6.17,3.12,;4.82,.81,;6.14,.03,;3.48,.05,)| Show InChI InChI=1S/C30H35F3N4O2/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(34)39)36-21-8-6-19(7-9-21)23-17-35-26-4-2-1-3-22(23)26/h1-5,10,15-16,19-21,23,29,35-36H,6-9,11-14,17H2,(H2,34,39)/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	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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