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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 = 'BDBM50218426'   
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))
BDBM50218426
PNG
(4-[2-(4-methoxy-benzylsulfanyl)-5,7,7,10,10-pentam...)
Show SMILES COc1ccc(CSc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:21|
Show InChI InChI=1S/C37H38N2O3S/c1-36(2)17-18-37(3,4)30-21-33-28(20-29(30)36)34(24-9-11-25(12-10-24)35(40)41)38-31-19-27(15-16-32(31)39(33)5)43-22-23-7-13-26(42-6)14-8-23/h7-16,19-21H,17-18,22H2,1-6H3,(H,40,41)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218426
PNG
(4-[2-(4-methoxy-benzylsulfanyl)-5,7,7,10,10-pentam...)
Show SMILES COc1ccc(CSc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:21|
Show InChI InChI=1S/C37H38N2O3S/c1-36(2)17-18-37(3,4)30-21-33-28(20-29(30)36)34(24-9-11-25(12-10-24)35(40)41)38-31-19-27(15-16-32(31)39(33)5)43-22-23-7-13-26(42-6)14-8-23/h7-16,19-21H,17-18,22H2,1-6H3,(H,40,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair