Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50339031'   

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 5 (Homo sapiens (Human))	BDBM50339031 (5-[(4-(3S)-4-[(1R,2R)-2-hydroxy-5-(trifluoromethyl...) Show SMILES C[C@H]1CN(CCN1[C@H]1[C@H](O)Cc2cc(ccc12)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C28H36F3N5O2/c1-17-15-35(27(4)7-9-34(10-8-27)26(38)24-18(2)32-16-33-19(24)3)11-12-36(17)25-22-6-5-21(28(29,30)31)13-20(22)14-23(25)37/h5-6,13,16-17,23,25,37H,7-12,14-15H2,1-4H3/t17-,23+,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 in IL-10-stimulated human monocytes				ACS Med Chem Lett 1: 483-487 (2010) Article DOI: 10.1021/ml1001536 BindingDB Entry DOI: 10.7270/Q2SQ90PC
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