Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50096535'   

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))	BDBM50096535 (1'-[4-[4-chlorophenyl(methyl)sulfonamido]-3-(3,4-d...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)24-9-7-23(30)8-10-24)19-22(21-6-11-26(31)27(32)18-21)12-15-34-16-13-29(14-17-34)20-38(35)28-5-3-2-4-25(28)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-,38?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	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
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50096535 (1'-[4-[4-chlorophenyl(methyl)sulfonamido]-3-(3,4-d...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H31Cl3N2O3S2/c1-33(39(36,37)24-9-7-23(30)8-10-24)19-22(21-6-11-26(31)27(32)18-21)12-15-34-16-13-29(14-17-34)20-38(35)28-5-3-2-4-25(28)29/h2-11,18,22H,12-17,19-20H2,1H3/t22-,38?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-011-9863-2 BindingDB Entry DOI: 10.7270/Q20Z765N
					More data for this Ligand-Target Pair