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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-beta' and Ligand = 'BDBM50122349'   
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-beta


(Mus musculus)
BDBM50122349
PNG
((2E,4E)-6-[1-(6-tert-Butyl-1,1-dimethyl-indan-4-yl...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc(cc2c1CCC2(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-10-25(12-13-25)21-16-18(23(2,3)4)15-20-19(21)9-11-24(20,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 15n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to human Retinoic acid receptor RAR alpha


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-beta


(Mus musculus)
BDBM50122349
PNG
((2E,4E)-6-[1-(6-tert-Butyl-1,1-dimethyl-indan-4-yl...)
Show SMILES C\C(\C=C\CC1(CC1)c1cc(cc2c1CCC2(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(14-22(26)27)8-7-10-25(12-13-25)21-16-18(23(2,3)4)15-20-19(21)9-11-24(20,5)6/h7-8,14-16H,9-13H2,1-6H3,(H,26,27)/b8-7+,17-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 22n/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