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BDBM335565 5-((4-aminopiperidin-1-yl)methyl)-N-(3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine::US9737542, Example 8

SMILES: CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1

InChI Key: InChIKey=SNVYUELBUJNVHU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335565   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM335565
PNG
(5-((4-aminopiperidin-1-yl)methyl)-N-(3-(2-isopropy...)
Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1
Show InChI InChI=1S/C22H28N10/c1-15(2)32-28-21(27-29-32)16-4-3-5-19(12-16)26-22-20-17(6-11-31(20)25-14-24-22)13-30-9-7-18(23)8-10-30/h3-6,11-12,14-15,18H,7-10,13,23H2,1-2H3,(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/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