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BDBM282415 2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) benzylamino)-N-(4- fluoro-2-methylphenyl)-5- (trifluoromethyl)nicotinamide::US10030016, Example 295

SMILES: Cc1cc(F)ccc1NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F

InChI Key: InChIKey=NGMNWRWNQALBJY-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 = 282415   
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))
BDBM282415
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Cc1cc(F)ccc1NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C27H21F4N7O/c1-14-8-19(28)6-7-22(14)36-26(39)21-10-18(27(29,30)31)13-35-24(21)33-11-15-2-4-16(5-3-15)17-9-20-23(32)37-38-25(20)34-12-17/h2-10,12-13H,11H2,1H3,(H,33,35)(H,36,39)(H3,32,34,37,38)
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