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BDBM14526 2-[6-(3-aminophenyl)-5-chloro-3-(methylamino)-2-oxo-1,2-dihydropyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide::Pyrazinone Analog 29a

SMILES: CNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O

InChI Key: InChIKey=HIXQZUJVMIZJLX-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 14526   
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
Coagulation factor VII


(Homo sapiens (Human))
BDBM14526
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(methylamino)-2-ox...)
Show SMILES CNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C21H22ClN7O2/c1-26-20-21(31)29(17(18(22)28-20)14-3-2-4-15(23)9-14)11-16(30)27-10-12-5-7-13(8-6-12)19(24)25/h2-9H,10-11,23H2,1H3,(H3,24,25)(H,26,28)(H,27,30)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



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
Prothrombin


(Homo sapiens (Human))
BDBM14526
PNG
(2-[6-(3-aminophenyl)-5-chloro-3-(methylamino)-2-ox...)
Show SMILES CNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
Show InChI InChI=1S/C21H22ClN7O2/c1-26-20-21(31)29(17(18(22)28-20)14-3-2-4-15(23)9-14)11-16(30)27-10-12-5-7-13(8-6-12)19(24)25/h2-9H,10-11,23H2,1H3,(H3,24,25)(H,26,28)(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/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