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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50429863'   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50429863
PNG
(CHEMBL2332885)
Show SMILES Cc1cc2c(cc1-n1cnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H26N2O2/c1-14-10-16-17(23(4,5)9-8-22(16,2)3)12-20(14)25-13-24-18-11-15(21(26)27)6-7-19(18)25/h6-7,10-13H,8-9H2,1-5H3,(H,26,27)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 633n/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