BindingDB logo
myBDB logout

PubMed code 26850003

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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))		BDBM50147212
PNG
(CHEMBL3765311 | US11053243, Example 192)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1cc2cc(ccc2o1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Show InChI InChI=1S/C42H50N8O7/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-31(49)37-43-21-29(45-37)25-11-13-26(14-12-25)34-20-28-19-27(15-16-33(28)57-34)30-22-44-38(46-30)32-10-8-18-50(32)40(52)36(24(3)4)48-42(54)56-6/h11-16,19-24,31-32,35-36H,7-10,17-18H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t31-,32-,35-,36-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of PXR (unknown origin)

Bioorg Med Chem Lett 26: 1475-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.050
BindingDB Entry DOI: 10.7270/Q28G8NJ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%