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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 (AAK1)' and Ligand = 'BDBM335641'   
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 (AAK1)


(Homo sapiens (Human))
BDBM335641
PNG
(2-methyl-2-(3-(3-(pyrrolo[2,1-f][1,2,4]triazin-4-y...)
Show SMILES CC(C)(CO)c1nc(no1)-c1cccc(Nc2ncnn3cccc23)c1
Show InChI InChI=1S/C18H18N6O2/c1-18(2,10-25)17-22-15(23-26-17)12-5-3-6-13(9-12)21-16-14-7-4-8-24(14)20-11-19-16/h3-9,11,25H,10H2,1-2H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 413n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...


US Patent US9737542 (2017)

More data for this
Ligand-Target Pair