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BDBM335668 4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)amino)-N-(2-methoxyethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide::US9737542, Example 108

SMILES: COCCNC(=O)c1ccn2ncnc(Nc3cccc(c3)-c3nnn(n3)C(C)C)c12

InChI Key: InChIKey=GMQGMSBNMNBWJI-UHFFFAOYSA-N

Data: 1 IC50

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   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 = 335668   
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))
BDBM335668
PNG
(4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)amino)-...)
Show SMILES COCCNC(=O)c1ccn2ncnc(Nc3cccc(c3)-c3nnn(n3)C(C)C)c12
Show InChI InChI=1S/C20H23N9O2/c1-13(2)29-26-18(25-27-29)14-5-4-6-15(11-14)24-19-17-16(20(30)21-8-10-31-3)7-9-28(17)23-12-22-19/h4-7,9,11-13H,8,10H2,1-3H3,(H,21,30)(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 289n/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