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SMILES: COC[C@H]1CN(CCO1)C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=RFOPMFZIQCADIJ-RSWONJOASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448518   
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
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50448518
PNG
(CHEMBL3126849)
Show SMILES COC[C@H]1CN(CCO1)C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C |r|
Show InChI InChI=1S/C35H44N4O7S/c1-37(2)47(42,43)36-33(40)23-10-12-27-30(16-23)39-21-35(34(41)38-14-15-46-25(19-38)20-44-3)18-29(35)28-17-24(45-4)11-13-26(28)32(39)31(27)22-8-6-5-7-9-22/h10-13,16-17,22,25,29H,5-9,14-15,18-21H2,1-4H3,(H,36,40)/t25-,29+,35+/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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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