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BDBM281897 2-({[5-(4-aminoquinazolin-6-yl) thiophen-2-yl]methyl}amino)- N-(3,5-difluorophenyl)- pyridine-3-carboxamide (TFA salt)::US10030016, Example 3.85

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)Nc2cc(F)cc(F)c2)s1

InChI Key: InChIKey=QRYPEGBYIJVKDZ-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 = 281897   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-phosphoinositide-dependent protein kinase 1 (aa 51-359)


(Homo sapiens (Human))
BDBM281897
PNG
(2-({[5-(4-aminoquinazolin-6-yl) thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)Nc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C25H18F2N6OS/c26-15-9-16(27)11-17(10-15)33-25(34)19-2-1-7-29-24(19)30-12-18-4-6-22(35-18)14-3-5-21-20(8-14)23(28)32-13-31-21/h1-11,13H,12H2,(H,29,30)(H,33,34)(H2,28,31,32)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Sunesis 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)


BindingDB Entry DOI: 10.7270/Q2S46V16
More data for this
Ligand-Target Pair