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BDBM282376 N-(3,4-difluorobenzyl)-2- (2-(2-(methylamino)quinazolin- 6-yl)prop-2-ynylamino)-5- (trifluoromethyl)nicotinamide::US10030016, Example 256

SMILES: CNc1ncc2cc(ccc2n1)C#CCNc1ncc(cc1C(=O)NCc1ccc(F)c(F)c1)C(F)(F)F

InChI Key: InChIKey=GEBAVUQCOZKWSE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 282376   
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
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM282376
PNG
(N-(3,4-difluorobenzyl)-2- (2-(2-(methylamino)quina...)
Show SMILES CNc1ncc2cc(ccc2n1)C#CCNc1ncc(cc1C(=O)NCc1ccc(F)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C26H19F5N6O/c1-32-25-36-13-17-9-15(5-7-22(17)37-25)3-2-8-33-23-19(11-18(14-34-23)26(29,30)31)24(38)35-12-16-4-6-20(27)21(28)10-16/h4-7,9-11,13-14H,8,12H2,1H3,(H,33,34)(H,35,38)(H,32,36,37)
GoogleScholar
AffyNet 
UniChem
n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair