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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 = 'BDBM50074295'   
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))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
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Article
PubMed
9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair