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BDBM50448511 CHEMBL3126857

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)c1ccccc1)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=KOESFBTYPLWGFO-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448511   
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))		BDBM50448511
PNG
(CHEMBL3126857)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)c1ccccc1)C(=O)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C38H42N4O6S/c1-40(2)49(46,47)39-35(43)25-14-16-29-32(18-25)42-21-37(36(44)41-22-38(45,23-41)26-12-8-5-9-13-26)20-31(37)30-19-27(48-3)15-17-28(30)34(42)33(29)24-10-6-4-7-11-24/h5,8-9,12-19,24,31,45H,4,6-7,10-11,20-23H2,1-3H3,(H,39,43)
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