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BDBM282423 2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) benzylamino)-N- (pyrimidin-4-yl)-5- (trifluoromethyl)nicotinamide::US10030016, Example 303

SMILES: Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccncn2)C(F)(F)F)cc1

InChI Key: InChIKey=HNWJSMOCGMZUSN-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 = 282423   
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))
BDBM282423
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccncn2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18F3N9O/c25-24(26,27)16-8-18(23(37)34-19-5-6-29-12-33-19)21(32-11-16)30-9-13-1-3-14(4-2-13)15-7-17-20(28)35-36-22(17)31-10-15/h1-8,10-12H,9H2,(H,30,32)(H3,28,31,35,36)(H,29,33,34,37)
PDB

GoogleScholar
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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