Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50148685'   

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))	BDBM50148685 (Allyl-{1-[3-phenyl-5-(propane-2-sulfonyl)-hexyl]-p...) Show SMILES CC(C)S(=O)(=O)C(C)CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 Show InChI InChI=1S/C31H43N3O6S/c1-5-18-33(31(35)40-23-26-11-13-30(14-12-26)34(36)37)29-16-20-32(21-17-29)19-15-28(27-9-7-6-8-10-27)22-25(4)41(38,39)24(2)3/h5-14,24-25,28-29H,1,15-23H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-MIP-1 alpha binding to C-C chemokine receptor type 5				Bioorg Med Chem Lett 14: 3589-93 (2004) Article DOI: 10.1016/j.bmcl.2004.03.112 BindingDB Entry DOI: 10.7270/Q20001KN
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