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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 = 'BDBM50218449'   
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))
BDBM50218449
PNG
(4-[2-(4-chloro-benzylsulfanyl)-5,7,7,10,10-pentame...)
Show SMILES CN1c2ccc(SCc3ccc(Cl)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H35ClN2O2S/c1-35(2)16-17-36(3,4)29-20-32-27(19-28(29)35)33(23-8-10-24(11-9-23)34(40)41)38-30-18-26(14-15-31(30)39(32)5)42-21-22-6-12-25(37)13-7-22/h6-15,18-20H,16-17,21H2,1-5H3,(H,40,41)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/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))
BDBM50218449
PNG
(4-[2-(4-chloro-benzylsulfanyl)-5,7,7,10,10-pentame...)
Show SMILES CN1c2ccc(SCc3ccc(Cl)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H35ClN2O2S/c1-35(2)16-17-36(3,4)29-20-32-27(19-28(29)35)33(23-8-10-24(11-9-23)34(40)41)38-30-18-26(14-15-31(30)39(32)5)42-21-22-6-12-25(37)13-7-22/h6-15,18-20H,16-17,21H2,1-5H3,(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 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