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BDBM281874 (S)-2-(((5-(4-aminoquinazolin-6- yl)thiophen-2-yl)methyl)amino)- N-(1-(3,5-difluorophenyl)ethyl) nicotinamide (TFA salt)::US10030016, Example 3.62

SMILES: C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1cc(F)cc(F)c1

InChI Key: InChIKey=KFCVASXIOQEWML-HNNXBMFYSA-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 = 281874   
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))
BDBM281874
PNG
((S)-2-(((5-(4-aminoquinazolin-6- yl)thiophen-2-yl)...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H22F2N6OS/c1-15(17-9-18(28)12-19(29)10-17)35-27(36)21-3-2-8-31-26(21)32-13-20-5-7-24(37-20)16-4-6-23-22(11-16)25(30)34-14-33-23/h2-12,14-15H,13H2,1H3,(H,31,32)(H,35,36)(H2,30,33,34)/t15-/m0/s1
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