BDBM50096542 1'-[3-(2-chlorophenyl)-4-methyl(phenyl)sulfonamidobutyl]spiro[2,3-dihydrobenzo[b]thiophene-1,1-dioxide-3,4'-(hexahydropyridine)]::CHEMBL328438

SMILES: CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=MVXCEIDCOZCEAI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096542   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50096542 (1'-[3-(2-chlorophenyl)-4-methyl(phenyl)sulfonamido...) Show SMILES CN(CC(CCN1CCC2(CS(=O)(=O)c3ccccc23)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)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)22-37(33,34)28-14-8-6-12-26(28)29/h2-14,23H,15-22H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+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
					More data for this Ligand-Target Pair