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BDBM50448514 CHEMBL3126854

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

InChI Key: InChIKey=QVFYUCNTPIHJMH-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448514   
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))		BDBM50448514
PNG
(CHEMBL3126854)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)C(F)(F)F)C(=O)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C33H37F3N4O6S/c1-38(2)47(44,45)37-29(41)20-9-11-23-26(13-20)40-16-31(30(42)39-17-32(43,18-39)33(34,35)36)15-25(31)24-14-21(46-3)10-12-22(24)28(40)27(23)19-7-5-4-6-8-19/h9-14,19,25,43H,4-8,15-18H2,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>3.00E+3n/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