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BDBM50448502 CHEMBL3126838

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC2CCC(C1)N2)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=WVRQVQYNLHTOMY-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448502   
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))		BDBM50448502
PNG
(CHEMBL3126838)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC2CCC(C1)N2)C(=O)NS(=O)(=O)N(C)C |TLB:27:29:36:32.33|
Show InChI InChI=1S/C35H43N5O5S/c1-38(2)46(43,44)37-33(41)22-9-13-27-30(15-22)40-20-35(34(42)39-18-23-10-11-24(19-39)36-23)17-29(35)28-16-25(45-3)12-14-26(28)32(40)31(27)21-7-5-4-6-8-21/h9,12-16,21,23-24,29,36H,4-8,10-11,17-20H2,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>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