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BDBM282430 2-(4-(6-aminopyridin-3-yl) benzylamino)-5-cyano-N- ((5-fluoropyridin-3-yl) methyl)nicotinamide::US10030016, Example 310

SMILES: Nc1ccc(cn1)-c1ccc(CNc2ncc(cc2C(=O)NCc2cncc(F)c2)C#N)cc1

InChI Key: InChIKey=GMHUOVHCPGWPLR-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 = 282430   
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))
BDBM282430
PNG
(2-(4-(6-aminopyridin-3-yl) benzylamino)-5-cyano-N-...)
Show SMILES Nc1ccc(cn1)-c1ccc(CNc2ncc(cc2C(=O)NCc2cncc(F)c2)C#N)cc1
Show InChI InChI=1S/C25H20FN7O/c26-21-7-18(10-29-15-21)13-33-25(34)22-8-17(9-27)12-32-24(22)31-11-16-1-3-19(4-2-16)20-5-6-23(28)30-14-20/h1-8,10,12,14-15H,11,13H2,(H2,28,30)(H,31,32)(H,33,34)
PDB

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PC cid
PC sid
UniChem
US Patent
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