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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50290081'   
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))
BDBM50290081
PNG
(3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1=Cc2ccc(cc2OC1)C(O)=O |t:16|
Show InChI InChI=1S/C24H26O3/c1-23(2)9-10-24(3,4)20-12-15(7-8-19(20)23)18-11-16-5-6-17(22(25)26)13-21(16)27-14-18/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26)
PDB
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PC cid
PC sid
UniChem
Article
19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290081
PNG
(3-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1=Cc2ccc(cc2OC1)C(O)=O |t:16|
Show InChI InChI=1S/C24H26O3/c1-23(2)9-10-24(3,4)20-12-15(7-8-19(20)23)18-11-16-5-6-17(22(25)26)13-21(16)27-14-18/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
More data for this
Ligand-Target Pair