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BDBM281880 3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]methyl} amino)-N-(4-fluorobenzyl) pyrazine-2-carboxamide (TFA salt)::US10030016, Example 3.68

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2ccc(F)cc2)s1

InChI Key: InChIKey=DDYJATPCTQPAGF-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281880   
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))
BDBM281880
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2ccc(F)cc2)s1
Show InChI InChI=1S/C25H20FN7OS/c26-17-4-1-15(2-5-17)12-31-25(34)22-24(29-10-9-28-22)30-13-18-6-8-21(35-18)16-3-7-20-19(11-16)23(27)33-14-32-20/h1-11,14H,12-13H2,(H,29,30)(H,31,34)(H2,27,32,33)
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