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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor gamma' and Ligand = 'BDBM50040015'   
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 gamma


(Homo sapiens (Human))
BDBM50040015
PNG
(4-[1-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES COc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O3/c1-15(16-7-9-17(10-8-16)22(25)26)18-13-19-20(14-21(18)27-6)24(4,5)12-11-23(19,2)3/h7-10,13-14H,1,11-12H2,2-6H3,(H,25,26)
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PC cid
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n/an/an/a>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity against [3H]-ATRA binding to retinoid receptor isoform (RAR gamma) expressed in baculovirus


J Med Chem 37: 2930-41 (1994)


BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair
Retinoic acid receptor gamma


(Homo sapiens (Human))
BDBM50040015
PNG
(4-[1-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrah...)
Show SMILES COc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O3/c1-15(16-7-9-17(10-8-16)22(25)26)18-13-19-20(14-21(18)27-6)24(4,5)12-11-23(19,2)3/h7-10,13-14H,1,11-12H2,2-6H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 gamma) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)


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