BDBM50096525 1'-[3-(3,4-dichlorophenyl)-4-methyl(1-naphthyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL328025

SMILES: CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=UNJRWDQWFXSFPO-VUCMSXJASA-N

Data: 2 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 2 hits for monomerid = 50096525   

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
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50096525 (1'-[3-(3,4-dichlorophenyl)-4-methyl(1-naphthyl)sul...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C33H34Cl2N2O3S2/c1-36(42(39,40)32-12-6-8-24-7-2-3-9-27(24)32)22-26(25-13-14-29(34)30(35)21-25)15-18-37-19-16-33(17-20-37)23-41(38)31-11-5-4-10-28(31)33/h2-14,21,26H,15-20,22-23H2,1H3/t26-,41?/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60E+3	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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50096525 (1'-[3-(3,4-dichlorophenyl)-4-methyl(1-naphthyl)sul...) Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C33H34Cl2N2O3S2/c1-36(42(39,40)32-12-6-8-24-7-2-3-9-27(24)32)22-26(25-13-14-29(34)30(35)21-25)15-18-37-19-16-33(17-20-37)23-41(38)31-11-5-4-10-28(31)33/h2-14,21,26H,15-20,22-23H2,1H3/t26-,41?/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	360	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