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BDBM282409 2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) benzylamino)-N-(pyridin- 3-yl)-5-(trifluoromethyl) nicotinamide::US10030016, Example 289

SMILES: Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2cccnc2)C(F)(F)F)cc1

InChI Key: InChIKey=DMCMREWJACPGAI-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 = 282409   
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))
BDBM282409
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2cccnc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F3N8O/c26-25(27,28)17-9-20(24(37)34-18-2-1-7-30-13-18)22(33-12-17)31-10-14-3-5-15(6-4-14)16-8-19-21(29)35-36-23(19)32-11-16/h1-9,11-13H,10H2,(H,31,33)(H,34,37)(H3,29,32,35,36)
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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