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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Monomerid = 50040019   
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))
BDBM50040019
PNG
(4-(5,5,8,8-Tetramethyl-3-propyl-5,6,7,8-tetrahydro...)
Show SMILES CCCc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O3/c1-6-7-18-14-20-21(25(4,5)13-12-24(20,2)3)15-19(18)22(26)16-8-10-17(11-9-16)23(27)28/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,27,28)
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RAR alpha) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)


Article DOI: 10.1021/jm00044a014
BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50040019
PNG
(4-(5,5,8,8-Tetramethyl-3-propyl-5,6,7,8-tetrahydro...)
Show SMILES CCCc1cc2c(cc1C(=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H30O3/c1-6-7-18-14-20-21(25(4,5)13-12-24(20,2)3)15-19(18)22(26)16-8-10-17(11-9-16)23(27)28/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,27,28)
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>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR alpha


J Med Chem 37: 2930-41 (1994)


Article DOI: 10.1021/jm00044a014
BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair