Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50338129'   

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))	BDBM50338129 ((1S,4S)-1,1,1-trifluoropropan-2-yl 5-((1S,3R)-1-is...) Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)C(F)(F)F |r| Show InChI InChI=1S/C23H36F3N3O4/c1-14(2)22(7-4-17(11-22)27-16-5-8-32-9-6-16)20(30)28-12-19-10-18(28)13-29(19)21(31)33-15(3)23(24,25)26/h14-19,27H,4-13H2,1-3H3/t15?,17-,18+,19+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2 preincubated 30 mins by human whole cell binding assay				Bioorg Med Chem Lett 21: 1827-31 (2011) Article DOI: 10.1016/j.bmcl.2011.01.052 BindingDB Entry DOI: 10.7270/Q2GM87M5
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