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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 13556   
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))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
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Article
PubMed
61 -40.8n/an/an/an/an/a7.822



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
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Article
PubMed
74n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
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UniChem

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Article
PubMed
310n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13556
PNG
(2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
730n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


Bioorg Med Chem Lett 15: 5344-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.079
BindingDB Entry DOI: 10.7270/Q2X63K6X
More data for this
Ligand-Target Pair