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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 = 'BDBM50218451'   
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))
BDBM50218451
PNG
(4-[2-(4-methoxy-phenylsulfanyl)-5,7,7,10,10-pentam...)
Show SMILES COc1ccc(Sc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:20|
Show InChI InChI=1S/C36H36N2O3S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(22-7-9-23(10-8-22)34(39)40)37-30-19-26(15-16-31(30)38(32)5)42-25-13-11-24(41-6)12-14-25/h7-16,19-21H,17-18H2,1-6H3,(H,39,40)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 720n/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))
BDBM50218451
PNG
(4-[2-(4-methoxy-phenylsulfanyl)-5,7,7,10,10-pentam...)
Show SMILES COc1ccc(Sc2ccc3N(C)c4cc5c(cc4C(=Nc3c2)c2ccc(cc2)C(O)=O)C(C)(C)CCC5(C)C)cc1 |c:20|
Show InChI InChI=1S/C36H36N2O3S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(22-7-9-23(10-8-22)34(39)40)37-30-19-26(15-16-31(30)38(32)5)42-25-13-11-24(41-6)12-14-25/h7-16,19-21H,17-18H2,1-6H3,(H,39,40)
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 1.60E+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