BDBM50096504 1'-[3-(3,4-dichlorophenyl)-4-phenylsulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)]::CHEMBL314486

SMILES: Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CSc3ccccc23)CC1)CNS(=O)(=O)c1ccccc1

InChI Key: InChIKey=SOMRQTQRGWZJIT-JOCHJYFZSA-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 = 50096504   

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))	BDBM50096504 (1'-[3-(3,4-dichlorophenyl)-4-phenylsulfonamido-(3S...) Show SMILES Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CSc3ccccc23)CC1)CNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C28H30Cl2N2O2S2/c29-25-11-10-21(18-26(25)30)22(19-31-36(33,34)23-6-2-1-3-7-23)12-15-32-16-13-28(14-17-32)20-35-27-9-5-4-8-24(27)28/h1-11,18,22,31H,12-17,19-20H2/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	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