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BDBM282397 2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) benzylamino)-N-(1-(4- chlorophenyl)ethyl)-5- (trifluoromethyl) nicotinamide::US10030016, Example 277

SMILES: C[C@H](NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F)c1ccc(Cl)cc1

InChI Key: InChIKey=VMALAPSJYMWZJB-HNNXBMFYSA-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 = 282397   
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))
BDBM282397
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H23ClF3N7O/c1-15(17-6-8-21(29)9-7-17)37-27(40)23-11-20(28(30,31)32)14-36-25(23)34-12-16-2-4-18(5-3-16)19-10-22-24(33)38-39-26(22)35-13-19/h2-11,13-15H,12H2,1H3,(H,34,36)(H,37,40)(H3,33,35,38,39)/t15-/m0/s1
GoogleScholar
AffyNet 
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