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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50436258   
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))
BDBM50436258
PNG
(CHEMBL2398722)
Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)18-6-5-7-19(18)28)22(30)27-13-12-24(31,23(3,4)14-27)16-8-10-17(25)11-9-16/h8-11,15,18-20,28,31H,5-7,12-14H2,1-4H3,(H,26,29)/t18-,19+,20-,24+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Induction of PXR (unknown origin)


Bioorg Med Chem Lett 23: 3833-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.079
BindingDB Entry DOI: 10.7270/Q24X596G
More data for this
Ligand-Target Pair