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BDBM335644 3-(2-isopropyl-2H-tetrazol-5-yl)-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol::US9737542, Example 84

SMILES: CC(C)n1nnc(n1)-c1cc(O)cc(Nc2ncnn3cccc23)c1

InChI Key: InChIKey=ISFFAKWHBNVNJA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335644   
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))
BDBM335644
PNG
(3-(2-isopropyl-2H-tetrazol-5-yl)-5-(pyrrolo[2,1-f]...)
Show SMILES CC(C)n1nnc(n1)-c1cc(O)cc(Nc2ncnn3cccc23)c1
Show InChI InChI=1S/C16H16N8O/c1-10(2)24-21-15(20-22-24)11-6-12(8-13(25)7-11)19-16-14-4-3-5-23(14)18-9-17-16/h3-10,25H,1-2H3,(H,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/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