BindingDB logo
myBDB logout

BDBM282386 (S)-2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) benzylamino)-N-1-(4- fluorophenyl)-2-hydroxyethyl)- 5-(trifluoromethyl) nicotinamide::US10030016, Example 266

SMILES: Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)N[C@H](CO)c2ccc(F)cc2)C(F)(F)F)cc1

InChI Key: InChIKey=TZFLNLPUMRSRDR-QWVACARCNA-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 = 282386   
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))
BDBM282386
PNG
((S)-2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl)...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)N[C@H](CO)c2ccc(F)cc2)C(F)(F)F)cc1
Show InChI InChI=1/C28H23F4N7O2/c29-20-7-5-17(6-8-20)23(14-40)37-27(41)22-10-19(28(30,31)32)13-36-25(22)34-11-15-1-3-16(4-2-15)18-9-21-24(33)38-39-26(21)35-12-18/h1-10,12-13,23,40H,11,14H2,(H,34,36)(H,37,41)(H3,33,35,38,39)/t23-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 550n/an/an/an/an/an/a



Sunesis 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)


Article DOI: 10.1021/bi047692e
BindingDB Entry DOI: 10.7270/Q2S46V16
More data for this
Ligand-Target Pair