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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor VII' and Ligand = 'BDBM14599'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII


(Homo sapiens (Human))
BDBM14599
PNG
(CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...)
Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)
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PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against tissue coagulation factor VII


Bioorg Med Chem Lett 13: 3721-5 (2003)


BindingDB Entry DOI: 10.7270/Q2QR4WJ5
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14599
PNG
(CHEMBL333980 | N-[(4-carbamimidoylphenyl)methyl]-2...)
Show SMILES COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H30N4O2/c1-17(2)30-23-14-13-21(19-7-5-4-6-8-19)22(25(23)32-3)15-24(31)29-16-18-9-11-20(12-10-18)26(27)28/h4-14,17,30H,15-16H2,1-3H3,(H3,27,28)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.47E+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: 4297-312 (2003)


Article DOI: 10.1021/jm030233b
BindingDB Entry DOI: 10.7270/Q2B27SJR
More data for this
Ligand-Target Pair