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PubMed code 27450787

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50187237
PNG
(CHEMBL3828515)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3=CC=C=C=c3o2)c(O)c1 |t:18|
Show InChI InChI=1S/C20H20N4O3S/c1-3-24(4-2)15-10-9-14(17(25)11-15)12-21-23-19(26)13-28-20-22-16-7-5-6-8-18(16)27-20/h5,7,9-12,25H,3-4,13H2,1-2H3,(H,23,26)/b21-12+
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PubMed
n/an/a 2.81E+3n/an/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in HEK293T cells assessed as inhibition of receptor transactivation after 12 hrs in presen...


Bioorg Med Chem Lett 26: 3846-9 (2016)


BindingDB Entry DOI: 10.7270/Q21N832N
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50187237
PNG
(CHEMBL3828515)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)CSc2nc3=CC=C=C=c3o2)c(O)c1 |t:18|
Show InChI InChI=1S/C20H20N4O3S/c1-3-24(4-2)15-10-9-14(17(25)11-15)12-21-23-19(26)13-28-20-22-16-7-5-6-8-18(16)27-20/h5,7,9-12,25H,3-4,13H2,1-2H3,(H,23,26)/b21-12+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/an/a 910n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to RXRalpha-LBD (unknown origin) measured up to 300 sec by surface plasma resonance method


Bioorg Med Chem Lett 26: 3846-9 (2016)


BindingDB Entry DOI: 10.7270/Q21N832N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%