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BDBM50448516 CHEMBL3126852

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)C1)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=QNBUCMHOHSGQJL-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448516   
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
Pregnane X receptor


(Homo sapiens (Human))		BDBM50448516
PNG
(CHEMBL3126852)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)C1)C(=O)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C32H38N4O6S/c1-34(2)43(40,41)33-30(38)20-9-11-24-27(13-20)36-18-32(31(39)35-16-21(37)17-35)15-26(32)25-14-22(42-3)10-12-23(25)29(36)28(24)19-7-5-4-6-8-19/h9-14,19,21,26,37H,4-8,15-18H2,1-3H3,(H,33,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Transactivation of human PXR expressed in human HepG2 cells by luciferase reporter gene assay

J Med Chem 57: 1855-79 (2014)


Article DOI: 10.1021/jm4016894
BindingDB Entry DOI: 10.7270/Q2V989JD
More data for this
Ligand-Target Pair