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BDBM14500 N-[(5-carbamimidoylpyridin-2-yl)methyl]-2-{2-oxo-6-phenyl-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide::Pyrazinone Analog 24c

SMILES: NC(=N)c1ccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)nc1

InChI Key: InChIKey=UNUSXZHGXZCIRO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 14500   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14500
PNG
(N-[(5-carbamimidoylpyridin-2-yl)methyl]-2-{2-oxo-6...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)nc1
Show InChI InChI=1S/C27H27N7O2/c28-25(29)21-11-12-22(31-15-21)16-32-24(35)18-34-23(20-9-5-2-6-10-20)17-33-26(27(34)36)30-14-13-19-7-3-1-4-8-19/h1-12,15,17H,13-14,16,18H2,(H3,28,29)(H,30,33)(H,32,35)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Pharmacia Corporation



Assay Description
Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was...


J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14500
PNG
(N-[(5-carbamimidoylpyridin-2-yl)methyl]-2-{2-oxo-6...)
Show SMILES NC(=N)c1ccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)nc1
Show InChI InChI=1S/C27H27N7O2/c28-25(29)21-11-12-22(31-15-21)16-32-24(35)18-34-23(20-9-5-2-6-10-20)17-33-26(27(34)36)30-14-13-19-7-3-1-4-8-19/h1-12,15,17H,13-14,16,18H2,(H3,28,29)(H,30,33)(H,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.67E+4n/an/an/an/a8.022



Pharmacia Corporation



Assay Description
Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. Th...


J Med Chem 46: 4050-62 (2003)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2FT8J9M
More data for this
Ligand-Target Pair