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BDBM281993 4-({[5-(4-aminoquinazolin- 6-yl)thiophen-2-yl]methyl} amino)-2-(3,4- difluorobenzyl)-1,2-dihydro- 3H-pyrrole[3,4-c]pyridin- 3-one::US10030016, Example 7.19

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccc3CN(Cc4ccc(F)c(F)c4)C(=O)c23)s1

InChI Key: InChIKey=AAMSJOZHTCTIHT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 281993   
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))
BDBM281993
PNG
(4-({[5-(4-aminoquinazolin- 6-yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccc3CN(Cc4ccc(F)c(F)c4)C(=O)c23)s1
Show InChI InChI=1S/C27H20F2N6OS/c28-20-4-1-15(9-21(20)29)12-35-13-17-7-8-31-26(24(17)27(35)36)32-11-18-3-6-23(37-18)16-2-5-22-19(10-16)25(30)34-14-33-22/h1-10,14H,11-13H2,(H,31,32)(H2,30,33,34)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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