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BDBM281887 3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]methyl} amino)-N-(2,4- difluorobenzyl)pyrazine-2- carboxamide (TFA salt)::US10030016, Example 3.75

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2ccc(F)cc2F)s1

InChI Key: InChIKey=NKZNQVFPMRPXAE-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 = 281887   
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))
BDBM281887
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2ccc(F)cc2F)s1
Show InChI InChI=1S/C25H19F2N7OS/c26-16-3-1-15(19(27)10-16)11-32-25(35)22-24(30-8-7-29-22)31-12-17-4-6-21(36-17)14-2-5-20-18(9-14)23(28)34-13-33-20/h1-10,13H,11-12H2,(H,30,31)(H,32,35)(H2,28,33,34)
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