BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50218453'   
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))
BDBM50218453
PNG
(4-[5,7,7,10,10-pentamethyl-2-(propane-1-sulfonyl)-...)
Show SMILES CCCS(=O)(=O)c1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C32H36N2O4S/c1-7-16-39(37,38)22-12-13-27-26(17-22)33-29(20-8-10-21(11-9-20)30(35)36)23-18-24-25(19-28(23)34(27)6)32(4,5)15-14-31(24,2)3/h8-13,17-19H,7,14-16H2,1-6H3,(H,35,36)
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 450n/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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218453
PNG
(4-[5,7,7,10,10-pentamethyl-2-(propane-1-sulfonyl)-...)
Show SMILES CCCS(=O)(=O)c1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:19|
Show InChI InChI=1S/C32H36N2O4S/c1-7-16-39(37,38)22-12-13-27-26(17-22)33-29(20-8-10-21(11-9-20)30(35)36)23-18-24-25(19-28(23)34(27)6)32(4,5)15-14-31(24,2)3/h8-13,17-19H,7,14-16H2,1-6H3,(H,35,36)
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 920n/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