Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50219885'   

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))	BDBM50219885 ((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(cycloprop...) Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC2CC2)c(C)c1 Show InChI InChI=1S/C26H31F3N4O3/c1-16-6-9-20(17(2)10-16)13-30-14-22(25(36)31-12-18-7-8-18)33-23(34)15-32-24(35)19-4-3-5-21(11-19)26(27,28)29/h3-6,9-11,18,22,30H,7-8,12-15H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125]MCP1 from CCR2 in human PBMCs				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
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