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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50333724   
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))
BDBM50333724
PNG
(2-(2-(3,5-bis(trifluoromethyl)phenyl)-1-(2-(tert-b...)
Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H35F6N3O2/c1-26(2,3)37-24(40)16-39-22-10-9-19(28(7,8)25(41)38-27(4,5)6)11-18(22)14-23(39)17-12-20(29(31,32)33)15-21(13-17)30(34,35)36/h9-15H,16H2,1-8H3,(H,37,40)(H,38,41)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.08E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at PXR by induction assay


Bioorg Med Chem Lett 21: 869-73 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.067
BindingDB Entry DOI: 10.7270/Q2B27VJK
More data for this
Ligand-Target Pair