Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50096532'   

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))	BDBM50096532 (1'-[3-(3,4-dichlorophenyl)-4-methyl(3-quinolyl)sul...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnc2ccccc2c1 Show InChI InChI=1S/C32H33Cl2N3O3S2/c1-36(42(39,40)26-18-24-6-2-4-8-30(24)35-20-26)21-25(23-10-11-28(33)29(34)19-23)12-15-37-16-13-32(14-17-37)22-41(38)31-9-5-3-7-27(31)32/h2-11,18-20,25H,12-17,21-22H2,1H3/t25-,41?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand				Bioorg Med Chem Lett 11: 259-64 (2001) BindingDB Entry DOI: 10.7270/Q29Z945C
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