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SMILES: COc1ccnc(NCCC#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1

InChI Key: InChIKey=MUPKDDDPMOIBME-UHFFFAOYSA-N

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 2 hits for monomerid = 366186   
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))
BDBM366186
PNG
(US9873693, Compound 109 | US9873693, Compound 264)
Show SMILES COc1ccnc(NCCC#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1
Show InChI InChI=1S/C23H21F2N5O3/c1-33-20-9-12-28-23(29-20)27-11-4-2-3-10-26-21(31)17-6-5-13-30(22(17)32)15-16-7-8-18(24)19(25)14-16/h5-9,12-14H,4,10-11,15H2,1H3,(H,26,31)(H,27,28,29)
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
3-phosphoinositide-dependent protein kinase 1 [51-360]


(Homo sapiens (Human))
BDBM366186
PNG
(US9873693, Compound 109 | US9873693, Compound 264)
Show SMILES COc1ccnc(NCCC#CCNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1
Show InChI InChI=1S/C23H21F2N5O3/c1-33-20-9-12-28-23(29-20)27-11-4-2-3-10-26-21(31)17-6-5-13-30(22(17)32)15-16-7-8-18(24)19(25)14-16/h5-9,12-14H,4,10-11,15H2,1H3,(H,26,31)(H,27,28,29)
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