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BDBM15160 1-[1-({4-[6-(2-methylpropyl)-5-oxo-3-phenyl-4,5-dihydropyrazin-2-yl]phenyl}methyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one::CHEMBL362016::pyrazinone 13f

SMILES: CC(C)Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1

InChI Key: InChIKey=RPSREAHMBSYUSD-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 15160   
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
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15160
PNG
(1-[1-({4-[6-(2-methylpropyl)-5-oxo-3-phenyl-4,5-di...)
Show SMILES CC(C)Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C33H35N5O2/c1-22(2)20-28-32(39)36-31(24-8-4-3-5-9-24)30(34-28)25-14-12-23(13-15-25)21-37-18-16-26(17-19-37)38-29-11-7-6-10-27(29)35-33(38)40/h3-15,22,26H,16-21H2,1-2H3,(H,35,40)(H,36,39)
PDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
325n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Akt2


Chem Biol 12: 621-37 (2005)


Article DOI: 10.1016/j.chembiol.2005.04.011
BindingDB Entry DOI: 10.7270/Q2R49RR6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM15160
PNG
(1-[1-({4-[6-(2-methylpropyl)-5-oxo-3-phenyl-4,5-di...)
Show SMILES CC(C)Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C33H35N5O2/c1-22(2)20-28-32(39)36-31(24-8-4-3-5-9-24)30(34-28)25-14-12-23(13-15-25)21-37-18-16-26(17-19-37)38-29-11-7-6-10-27(29)35-33(38)40/h3-15,22,26H,16-21H2,1-2H3,(H,35,40)(H,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15160
PNG
(1-[1-({4-[6-(2-methylpropyl)-5-oxo-3-phenyl-4,5-di...)
Show SMILES CC(C)Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C33H35N5O2/c1-22(2)20-28-32(39)36-31(24-8-4-3-5-9-24)30(34-28)25-14-12-23(13-15-25)21-37-18-16-26(17-19-37)38-29-11-7-6-10-27(29)35-33(38)40/h3-15,22,26H,16-21H2,1-2H3,(H,35,40)(H,36,39)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15160
PNG
(1-[1-({4-[6-(2-methylpropyl)-5-oxo-3-phenyl-4,5-di...)
Show SMILES CC(C)Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C33H35N5O2/c1-22(2)20-28-32(39)36-31(24-8-4-3-5-9-24)30(34-28)25-14-12-23(13-15-25)21-37-18-16-26(17-19-37)38-29-11-7-6-10-27(29)35-33(38)40/h3-15,22,26H,16-21H2,1-2H3,(H,35,40)(H,36,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well...


Bioorg Med Chem Lett 15: 761-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.011
BindingDB Entry DOI: 10.7270/Q2TX3CM4
More data for this
Ligand-Target Pair