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BDBM335624 2-(((4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl)amino)acetonitrile::US9737542, Example 66

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

InChI Key: InChIKey=BINYUNHKVHTSPA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335624   
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))
BDBM335624
PNG
(2-(((4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)am...)
Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(CNCC#N)c23)c1
Show InChI InChI=1S/C19H20N10/c1-13(2)29-26-18(25-27-29)14-4-3-5-16(10-14)24-19-17-15(11-21-8-7-20)6-9-28(17)23-12-22-19/h3-6,9-10,12-13,21H,8,11H2,1-2H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+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