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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'AP2-associated protein kinase 1' and Ligand = 'BDBM50502297'   
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
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50502297
PNG
(CHEMBL4448513)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3cccc(c3)C#N)c2c1
Show InChI InChI=1S/C24H17N3O2/c1-28-22-9-8-18(12-23(22)29-2)20-11-21-19(14-26-24(21)27-15-20)7-6-16-4-3-5-17(10-16)13-25/h3-5,8-12,14-15H,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 381n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 sec...


J Med Chem 62: 5810-5831 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00136
BindingDB Entry DOI: 10.7270/Q2CR5XMR
More data for this
Ligand-Target Pair