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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 = 'BDBM335592'   
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))
BDBM335592
PNG
(N-(3-(5-isopropyl-1,3,4-thiadiazol-2-yl)phenyl)-5-...)
Show SMILES CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CCNCC4)c23)c1
Show InChI InChI=1S/C22H26N8S/c1-15(2)21-27-28-22(31-21)16-4-3-5-18(12-16)26-20-19-17(6-9-30(19)25-14-24-20)13-29-10-7-23-8-11-29/h3-6,9,12,14-15,23H,7-8,10-11,13H2,1-2H3,(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