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BDBM366148 US9873693, Compound 71

SMILES: Cc1[nH]c2ncccc2c1-c1cccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1

InChI Key: InChIKey=AMQCFAPOQIAPLN-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366148   
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 [51-360]


(Homo sapiens (Human))
BDBM366148
PNG
(US9873693, Compound 71)
Show SMILES Cc1[nH]c2ncccc2c1-c1cccc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)c1
Show InChI InChI=1S/C28H22F2N4O2/c1-17-25(21-7-3-11-31-26(21)33-17)20-6-2-5-18(13-20)15-32-27(35)22-8-4-12-34(28(22)36)16-19-9-10-23(29)24(30)14-19/h2-14H,15-16H2,1H3,(H,31,33)(H,32,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Duquesne University



Assay Description
A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) ...


J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2H41TRT
More data for this
Ligand-Target Pair