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BDBM282064 2-({[5-(4-aminoquinazolin- 6-yl)thiophen-2-yl]methyl} amino)-5-chloro-N-(3,4- difluorobenzyl)pyridine- 3-carboxamide::US10030016, Example 8.12.3

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncc(Cl)cc2C(=O)NCc2ccc(F)c(F)c2)s1

InChI Key: InChIKey=QGTALAZUAHZSSQ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 282064   
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))
BDBM282064
PNG
(2-({[5-(4-aminoquinazolin- 6-yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncc(Cl)cc2C(=O)NCc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C26H19ClF2N6OS/c27-16-9-19(26(36)33-10-14-1-4-20(28)21(29)7-14)25(31-11-16)32-12-17-3-6-23(37-17)15-2-5-22-18(8-15)24(30)35-13-34-22/h1-9,11,13H,10,12H2,(H,31,32)(H,33,36)(H2,30,34,35)
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