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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50122350'   
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 RXR-alpha


(Homo sapiens (Human))
BDBM50122350
PNG
((2E,4E)-3-Methyl-6-[1-(5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES C\C(\C=C\CC1(CCCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-19(17-23(27)28)9-8-14-26(12-6-7-13-26)20-10-11-21-22(18-20)25(4,5)16-15-24(21,2)3/h8-11,17-18H,6-7,12-16H2,1-5H3,(H,27,28)/b9-8+,19-17+
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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 63n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RXR beta


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50122350
PNG
((2E,4E)-3-Methyl-6-[1-(5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES C\C(\C=C\CC1(CCCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-19(17-23(27)28)9-8-14-26(12-6-7-13-26)20-10-11-21-22(18-20)25(4,5)16-15-24(21,2)3/h8-11,17-18H,6-7,12-16H2,1-5H3,(H,27,28)/b9-8+,19-17+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 41n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 13: 261-4 (2002)


BindingDB Entry DOI: 10.7270/Q29P310V
More data for this
Ligand-Target Pair