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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 = 'BDBM50218488'   
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))
BDBM50218488
PNG
(4-(2-benzoylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H35N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,37,40)(H,41,42)
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/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))
BDBM50218488
PNG
(4-(2-benzoylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:19|
Show InChI InChI=1S/C36H35N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,37,40)(H,41,42)
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 2.00E+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