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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 = 'BDBM50032668'   
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))
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
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n/an/an/an/a 300n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-alpha was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/a 50n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair