Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50096576'   

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))	BDBM50096576 (1'-[3-(2-chlorophenyl)-4-methyl(phenyl)sulfonamido...) Show SMILES CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O3S2/c1-31(37(34,35)24-9-3-2-4-10-24)21-23(25-11-5-7-13-27(25)30)15-18-32-19-16-29(17-20-32)22-36(33)28-14-8-6-12-26(28)29/h2-14,23H,15-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor.				Bioorg Med Chem Lett 11: 265-70 (2001) BindingDB Entry DOI: 10.7270/Q2668CFZ
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