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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 = 'BDBM335610'   
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))
BDBM335610
PNG
(N-(1-((4-((3-(5-isopropyl-1,3,4-thiadiazol-2-yl)ph...)
Show SMILES CC(C)c1nnc(s1)-c1cccc(Nc2ncnn3ccc(CN4CCC(CC4)NC(C)=O)c23)c1
Show InChI InChI=1S/C25H30N8OS/c1-16(2)24-30-31-25(35-24)18-5-4-6-21(13-18)29-23-22-19(7-12-33(22)27-15-26-23)14-32-10-8-20(9-11-32)28-17(3)34/h4-7,12-13,15-16,20H,8-11,14H2,1-3H3,(H,28,34)(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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