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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50236532   
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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial


(Homo sapiens (Human))
BDBM50236532
PNG
(CHEMBL4093486)
Show SMILES CCN(CC)CCN(C(=O)c1ccc(O)cc1O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H26N2O4/c1-4-21(5-2)12-13-22(15-6-9-17(26-3)10-7-15)20(25)18-11-8-16(23)14-19(18)24/h6-11,14,23-24H,4-5,12-13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.33E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 (short) by [3H]-spiperone displacement.


J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair