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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 = 'BDBM50032677'   
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))
BDBM50032677
PNG
(4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES CC(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H30O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14,16H,11-12H2,1-6H3,(H,25,26)
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PC cid
PC sid
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PubMed
n/an/an/an/a 470n/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))
BDBM50032677
PNG
(4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES CC(c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H30O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14,16H,11-12H2,1-6H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/an/a 110n/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