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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 = 'BDBM335618'   
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))
BDBM335618
PNG
(N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)-5-(((3-...)
Show SMILES CC(C)n1nnc(n1)-c1cccc(NCc2ccn3ncnc(Nc4cccc(c4)-c4nnn(n4)C(C)C)c23)c1
Show InChI InChI=1S/C27H29N13/c1-17(2)39-34-25(32-36-39)19-7-5-9-22(13-19)28-15-21-11-12-38-24(21)27(29-16-30-38)31-23-10-6-8-20(14-23)26-33-37-40(35-26)18(3)4/h5-14,16-18,28H,15H2,1-4H3,(H,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.58E+3n/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