BDBM50096543 1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spiro[2,3-dihydrobenzo[b]thiophene-3,4'-(hexahydropyridine)1-oxide]::CHEMBL408438

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

InChI Key: InChIKey=VAJOGYQUKHOXAR-UHFFFAOYSA-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 = 50096543   

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))	BDBM50096543 (1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spir...) Show SMILES CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes				Bioorg Med Chem Lett 11: 1437-40 (2001) BindingDB Entry DOI: 10.7270/Q2VM4CSZ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50096543 (1'-[4-methyl(phenyl)sulfonamido-3-phenylbutyl]spir...) Show SMILES CN(CC(CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H34N2O3S2/c1-30(36(33,34)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-35(32)28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3	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	35	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