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BDBM335661 4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)amino)-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide::US9737542, Example 101

SMILES: CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(C(=O)N(C)C)c23)c1

InChI Key: InChIKey=MKHGPADXRMHDJH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 335661   
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))
BDBM335661
PNG
(4-((3-(2-isopropyl-2H-tetrazol-5-yl)phenyl)amino)-...)
Show SMILES CC(C)n1nnc(n1)-c1cccc(Nc2ncnn3ccc(C(=O)N(C)C)c23)c1
Show InChI InChI=1S/C19H21N9O/c1-12(2)28-24-17(23-25-28)13-6-5-7-14(10-13)22-18-16-15(19(29)26(3)4)8-9-27(16)21-11-20-18/h5-12H,1-4H3,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 687n/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