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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 = 'BDBM50218442'   
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))
BDBM50218442
PNG
(4-(2-acetyl-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O |t:10|
Show InChI InChI=1S/C32H34N2O3/c1-7-34-27-13-12-22(19(2)35)16-26(27)33-29(20-8-10-21(11-9-20)30(36)37)23-17-24-25(18-28(23)34)32(5,6)15-14-31(24,3)4/h8-13,16-18H,7,14-15H2,1-6H3,(H,36,37)
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Article
PubMed
n/an/a 790n/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))
BDBM50218442
PNG
(4-(2-acetyl-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O |t:10|
Show InChI InChI=1S/C32H34N2O3/c1-7-34-27-13-12-22(19(2)35)16-26(27)33-29(20-8-10-21(11-9-20)30(36)37)23-17-24-25(18-28(23)34)32(5,6)15-14-31(24,3)4/h8-13,16-18H,7,14-15H2,1-6H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 970n/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