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SMILES: Cc1cc2c(cc1-n1c(N)nc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C

InChI Key: InChIKey=WWFKXOHNVWKPRM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50429864   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50429864
PNG
(CHEMBL2332886)
Show SMILES Cc1cc2c(cc1-n1c(N)nc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C |(24.03,-22.65,;22.68,-21.9,;21.37,-22.7,;20.02,-21.95,;19.98,-20.42,;21.31,-19.62,;22.65,-20.36,;23.97,-19.57,;25.39,-20.16,;25.73,-21.66,;26.39,-19,;25.6,-17.68,;26.04,-16.21,;24.99,-15.09,;23.49,-15.43,;23.05,-16.91,;24.1,-18.03,;25.44,-13.61,;26.94,-13.26,;24.38,-12.48,;18.66,-19.65,;17.6,-18.53,;19.6,-18.48,;17.32,-20.47,;17.35,-22.01,;18.68,-22.77,;19.73,-23.89,;17.73,-23.95,)|
Show InChI InChI=1S/C23H27N3O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)26-18-7-6-14(20(27)28)11-17(18)25-21(26)24/h6-7,10-12H,8-9H2,1-5H3,(H2,24,25)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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Similars

Article
PubMed
n/an/an/an/a 155n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay


J Med Chem 56: 1865-77 (2013)


Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8
More data for this
Ligand-Target Pair