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BDBM335621 1-((4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl)azetidine-3-carbonitrile::US9737542, Example 64

SMILES: CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CC(C4)C#N)c23)c1

InChI Key: InChIKey=DATRLNPYMYFOLC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335621   
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))
BDBM335621
PNG
(1-((4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)ami...)
Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CN4CC(C4)C#N)c23)c1
Show InChI InChI=1S/C21H22N10/c1-14(2)31-27-20(26-28-31)16-4-3-5-18(8-16)25-21-19-17(6-7-30(19)24-13-23-21)12-29-10-15(9-22)11-29/h3-8,13-15H,10-12H2,1-2H3,(H,23,24,25)
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