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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 = 'BDBM335564'   
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))
BDBM335564
PNG
(3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f...)
Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cc(O)cc(c4)-c4ncco4)c23)CC1
Show InChI InChI=1S/C21H23N7O2/c22-16-2-5-27(6-3-16)12-14-1-7-28-19(14)20(24-13-25-28)26-17-9-15(10-18(29)11-17)21-23-4-8-30-21/h1,4,7-11,13,16,29H,2-3,5-6,12,22H2,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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