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BDBM281964 2-({[2-(4-aminoquinazolin- 6-yl)-1,3-thiazol-5-yl] methyl}amino)-N- (3,4-difluoro-benzyl) pyridine-3-carboxamide::US10030016, Example 6.6

SMILES: Nc1ncnc2ccc(cc12)-c1ncc(CNc2ncccc2C(=O)NCc2ccc(F)c(F)c2)s1

InChI Key: InChIKey=XODUQSUPSHNJQO-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 = 281964   
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))
BDBM281964
PNG
(2-({[2-(4-aminoquinazolin- 6-yl)-1,3-thiazol-5-yl]...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ncc(CNc2ncccc2C(=O)NCc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C25H19F2N7OS/c26-19-5-3-14(8-20(19)27)10-31-24(35)17-2-1-7-29-23(17)30-11-16-12-32-25(36-16)15-4-6-21-18(9-15)22(28)34-13-33-21/h1-9,12-13H,10-11H2,(H,29,30)(H,31,35)(H2,28,33,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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