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BDBM281894 6-cyano-N-(4-fluorobenzyl)- 3-(((5-(1-methyl-1H-imidazo [4,5-c]quinolin-8-yl)thiophen- 2-yl)methyl)amino)pyrazine-2- carboxamide (TFA salt)::US10030016, Example 3.82

SMILES: Cn1cnc2cnc3ccc(cc3c12)-c1ccc(CNc2ncc(nc2C(=O)NCc2ccc(F)cc2)C#N)s1

InChI Key: InChIKey=CIJPIRBYZFJAIY-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 = 281894   
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))
BDBM281894
PNG
(6-cyano-N-(4-fluorobenzyl)- 3-(((5-(1-methyl-1H-im...)
Show SMILES Cn1cnc2cnc3ccc(cc3c12)-c1ccc(CNc2ncc(nc2C(=O)NCc2ccc(F)cc2)C#N)s1
Show InChI InChI=1S/C29H21FN8OS/c1-38-16-36-24-15-32-23-8-4-18(10-22(23)27(24)38)25-9-7-21(40-25)14-34-28-26(37-20(11-31)13-33-28)29(39)35-12-17-2-5-19(30)6-3-17/h2-10,13,15-16H,12,14H2,1H3,(H,33,34)(H,35,39)
GoogleScholar
AffyNet 
UniChem
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