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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50290082'   
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))
BDBM50290082
PNG
(3-(3-Adamantan-1-yl-4-methoxy-phenyl)-2H-chromene-...)
Show SMILES COc1ccc(cc1C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C1=Cc2ccc(cc2OC1)C(O)=O |t:22,TLB:15:10:17:16.14.13,15:14:17:9.10.11|
Show InChI InChI=1S/C27H28O4/c1-30-24-5-4-19(22-9-20-2-3-21(26(28)29)11-25(20)31-15-22)10-23(24)27-12-16-6-17(13-27)8-18(7-16)14-27/h2-5,9-11,16-18H,6-8,12-15H2,1H3,(H,28,29)/t16-,17+,18-,27?
PDB
MMDB

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PC cid
PC sid
UniChem
Article
71n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50290082
PNG
(3-(3-Adamantan-1-yl-4-methoxy-phenyl)-2H-chromene-...)
Show SMILES COc1ccc(cc1C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)C1=Cc2ccc(cc2OC1)C(O)=O |t:22,TLB:15:10:17:16.14.13,15:14:17:9.10.11|
Show InChI InChI=1S/C27H28O4/c1-30-24-5-4-19(22-9-20-2-3-21(26(28)29)11-25(20)31-15-22)10-23(24)27-12-16-6-17(13-27)8-18(7-16)14-27/h2-5,9-11,16-18H,6-8,12-15H2,1H3,(H,28,29)/t16-,17+,18-,27?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
174n/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