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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid X receptor gamma/retinoic acid receptor alpha' and Ligand = 'BDBM50290138'   
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))
BDBM50290138
PNG
((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O |t:10|
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
>2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RA


Bioorg Med Chem Lett 7: 2313-2318 (1997)


Article DOI: 10.1016/S0960-894X(97)00420-4
BindingDB Entry DOI: 10.7270/Q2Z89CDD
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50290138
PNG
((2Z,4E)-3-Methyl-5-{2-[(E)-2-(3,3,6,6-tetramethyl-...)
Show SMILES C\C(\C=C\C1CC1\C=C\C1=CC(C)(C)CCC1(C)C)=C\C(O)=O |t:10|
Show InChI InChI=1S/C21H30O2/c1-15(12-19(22)23)6-7-16-13-17(16)8-9-18-14-20(2,3)10-11-21(18,4)5/h6-9,12,14,16-17H,10-11,13H2,1-5H3,(H,22,23)/b7-6+,9-8+,15-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
>4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human Retinoic acid receptor alpha


Bioorg Med Chem Lett 7: 2313-2318 (1997)


Article DOI: 10.1016/S0960-894X(97)00420-4
BindingDB Entry DOI: 10.7270/Q2Z89CDD
More data for this
Ligand-Target Pair