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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 = 'BDBM50218468'   
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))
BDBM50218468
PNG
(4-[2-(4-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(40)41)37-29-18-24(12-15-30(29)39(31)5)38-44(42,43)25-13-10-23(36)11-14-25/h6-15,18-20,38H,16-17H2,1-5H3,(H,40,41)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218468
PNG
(4-[2-(4-fluoro-benzenesulfonylamino)-5,7,7,10,10-p...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:21|
Show InChI InChI=1S/C35H34FN3O4S/c1-34(2)16-17-35(3,4)28-20-31-26(19-27(28)34)32(21-6-8-22(9-7-21)33(40)41)37-29-18-24(12-15-30(29)39(31)5)38-44(42,43)25-13-10-23(36)11-14-25/h6-15,18-20,38H,16-17H2,1-5H3,(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 1.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair