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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50158413'   
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
Retinoid receptor


(Homo sapiens (Human))
BDBM50158413
PNG
(CHEMBL388283 | N-(1H-1,2,4-triazol-1-yl)-(E)-retin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=CC(C)=CC(=O)n1cncn1 |w:14.14,18.19,c:4|
Show InChI InChI=1S/C22H29N3O/c1-17(11-12-20-19(3)10-7-13-22(20,4)5)8-6-9-18(2)14-21(26)25-16-23-15-24-25/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3/b9-6?,12-11+,17-8+,18-14?
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair