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BDBM281819 2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]methyl}amino)- N-(4-fluorobenzyl)pyridine-3- carboxamide (TFA salt)::US10030016, Example 3.7

SMILES: Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2ccc(F)cc2)s1

InChI Key: InChIKey=DPUGPBBZXFQYOU-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 = 281819   
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))
BDBM281819
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2ccc(F)cc2)s1
Show InChI InChI=1S/C26H21FN6OS/c27-18-6-3-16(4-7-18)13-31-26(34)20-2-1-11-29-25(20)30-14-19-8-10-23(35-19)17-5-9-22-21(12-17)24(28)33-15-32-22/h1-12,15H,13-14H2,(H,29,30)(H,31,34)(H2,28,32,33)
GoogleScholar
AffyNet 
PC cid
PC sid
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