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BDBM281851 2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]methyl}amino)- N-(3,5-difluorobenzyl) pyridine-3-carboxamide (TFA salt)::US10030016, Example 3.39

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cc(F)cc(F)c2)s1

InChI Key: InChIKey=HTBIMHYBPBBOFP-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 = 281851   
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))
BDBM281851
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C26H20F2N6OS/c27-17-8-15(9-18(28)11-17)12-32-26(35)20-2-1-7-30-25(20)31-13-19-4-6-23(36-19)16-3-5-22-21(10-16)24(29)34-14-33-22/h1-11,14H,12-13H2,(H,30,31)(H,32,35)(H2,29,33,34)
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