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BDBM282387 2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) benzylamino)-N-(6- fluoropyridin-3-yl)-5- (trifluoromethyl) nicotinamide::US10030016, Example 267

SMILES: Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(F)nc2)C(F)(F)F)cc1

InChI Key: InChIKey=RLPZABULVVYYPQ-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 = 282387   
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))
BDBM282387
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(F)nc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H18F4N8O/c26-20-6-5-17(12-31-20)35-24(38)19-8-16(25(27,28)29)11-34-22(19)32-9-13-1-3-14(4-2-13)15-7-18-21(30)36-37-23(18)33-10-15/h1-8,10-12H,9H2,(H,32,34)(H,35,38)(H3,30,33,36,37)
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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