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BDBM15152 1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one::pyrazinone 13b

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

InChI Key: InChIKey=VQEYGNWUFJMZPZ-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 15152   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15152
PNG
(1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyraz...)
Show SMILES Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H29N5O2/c1-20-29(36)33-28(22-7-3-2-4-8-22)27(31-20)23-13-11-21(12-14-23)19-34-17-15-24(16-18-34)35-26-10-6-5-9-25(26)32-30(35)37/h2-14,24H,15-19H2,1H3,(H,32,37)(H,33,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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Article
PubMed
760n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Akt1


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 AKT2


(Homo sapiens (Human))
BDBM15152
PNG
(1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyraz...)
Show SMILES Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H29N5O2/c1-20-29(36)33-28(22-7-3-2-4-8-22)27(31-20)23-13-11-21(12-14-23)19-34-17-15-24(16-18-34)35-26-10-6-5-9-25(26)32-30(35)37/h2-14,24H,15-19H2,1H3,(H,32,37)(H,33,36)
PDB

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antibodypedia
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Article
PubMed
n/an/a 2.40E+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))
BDBM15152
PNG
(1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyraz...)
Show SMILES Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H29N5O2/c1-20-29(36)33-28(22-7-3-2-4-8-22)27(31-20)23-13-11-21(12-14-23)19-34-17-15-24(16-18-34)35-26-10-6-5-9-25(26)32-30(35)37/h2-14,24H,15-19H2,1H3,(H,32,37)(H,33,36)
PDB

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Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM15152
PNG
(1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyraz...)
Show SMILES Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H29N5O2/c1-20-29(36)33-28(22-7-3-2-4-8-22)27(31-20)23-13-11-21(12-14-23)19-34-17-15-24(16-18-34)35-26-10-6-5-9-25(26)32-30(35)37/h2-14,24H,15-19H2,1H3,(H,32,37)(H,33,36)
PDB

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Article
PubMed
n/an/a 760n/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 AKT


(Homo sapiens (Human))
BDBM15152
PNG
(1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyraz...)
Show SMILES Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C30H29N5O2/c1-20-29(36)33-28(22-7-3-2-4-8-22)27(31-20)23-13-11-21(12-14-23)19-34-17-15-24(16-18-34)35-26-10-6-5-9-25(26)32-30(35)37/h2-14,24H,15-19H2,1H3,(H,32,37)(H,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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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