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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM50448510'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50448510
PNG
(CHEMBL3126858)
Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)c1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C38H41FN4O6S/c1-41(2)50(47,48)40-35(44)24-9-15-29-32(17-24)43-20-37(36(45)42-21-38(46,22-42)25-10-12-26(39)13-11-25)19-31(37)30-18-27(49-3)14-16-28(30)34(43)33(29)23-7-5-4-6-8-23/h9-18,23,31,46H,4-8,19-22H2,1-3H3,(H,40,44)
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