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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Monomerid = 50075348   
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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075348
PNG
(4-[8-(3-Hydroxy-phenyl)-5,5-dimethyl-5,6-dihydro-n...)
Show SMILES CC1(C)CC=C(c2cccc(O)c2)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3/c1-27(2)15-14-23(21-4-3-5-22(28)17-21)24-16-19(10-13-25(24)27)7-6-18-8-11-20(12-9-18)26(29)30/h3-5,8-14,16-17,28H,15H2,1-2H3,(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 919n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Ability to displace 3[H]-(all-E)-retinoic acid (5 nM) from alpha retinoic acid receptor (alpha RAR) using transactivation assay


Bioorg Med Chem Lett 9: 573-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00047-5
BindingDB Entry DOI: 10.7270/Q2SN084D
More data for this
Ligand-Target Pair