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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid X receptor gamma/retinoic acid receptor alpha' and Ligand = 'BDBM50048281'   
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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50048281
PNG
(5',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro-[2,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-19(9-10-21(22)24)17-5-6-18-14-20(23(26)27)8-7-16(18)13-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
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Article
580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor alpha


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50048281
PNG
(5',5',8',8'-Tetramethyl-5',6',7',8'-tetrahydro-[2,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26O2/c1-24(2)11-12-25(3,4)22-15-19(9-10-21(22)24)17-5-6-18-14-20(23(26)27)8-7-16(18)13-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
580n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair