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BDBM50096574 1'-[3-(4-fluorophenyl)-4-methyl(phenyl)sulfonamido-(3S)-butyl]spiro[2,3-dihydrobenzo[b]thiophene-1-oxide-3,4'-(hexahydropyridine)]::CHEMBL88927

SMILES: CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=HFVUXDLREYISIA-LHTANEHXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096574   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096574
PNG
(1'-[3-(4-fluorophenyl)-4-methyl(phenyl)sulfonamido...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H33FN2O3S2/c1-31(37(34,35)26-7-3-2-4-8-26)21-24(23-11-13-25(30)14-12-23)15-18-32-19-16-29(17-20-32)22-36(33)28-10-6-5-9-27(28)29/h2-14,24H,15-22H2,1H3/t24-,36?/m1/s1
PDB

KEGG

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PubMed
n/an/a 570n/an/an/an/an/an/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