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PubMed code 25559742

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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 X


(Homo sapiens (Human))
BDBM50062617
PNG
(CHEMBL3397685)
Show SMILES COc1cc(ccc1OC(C)=O)-c1noc2ncn(-c3ccc(cc3)N3CCOCC3=O)c(=O)c12
Show InChI InChI=1S/C24H20N4O7/c1-14(29)34-18-8-3-15(11-19(18)32-2)22-21-23(35-26-22)25-13-28(24(21)31)17-6-4-16(5-7-17)27-9-10-33-12-20(27)30/h3-8,11,13H,9-10,12H2,1-2H3
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using chromogenic substrate S-2765 preincubated for 10 mins by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50062618
PNG
(CHEMBL3397706)
Show SMILES COc1ccc(cc1)-c1noc2ncn(-c3ccc(cc3)C(=O)Nc3ccccn3)c(=O)c12
Show InChI InChI=1S/C24H17N5O4/c1-32-18-11-7-15(8-12-18)21-20-23(33-28-21)26-14-29(24(20)31)17-9-5-16(6-10-17)22(30)27-19-4-2-3-13-25-19/h2-14H,1H3,(H,25,27,30)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using chromogenic substrate S-2765 preincubated for 10 mins by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062618
PNG
(CHEMBL3397706)
Show SMILES COc1ccc(cc1)-c1noc2ncn(-c3ccc(cc3)C(=O)Nc3ccccn3)c(=O)c12
Show InChI InChI=1S/C24H17N5O4/c1-32-18-11-7-15(8-12-18)21-20-23(33-28-21)26-14-29(24(20)31)17-9-5-16(6-10-17)22(30)27-19-4-2-3-13-25-19/h2-14H,1H3,(H,25,27,30)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062618
PNG
(CHEMBL3397706)
Show SMILES COc1ccc(cc1)-c1noc2ncn(-c3ccc(cc3)C(=O)Nc3ccccn3)c(=O)c12
Show InChI InChI=1S/C24H17N5O4/c1-32-18-11-7-15(8-12-18)21-20-23(33-28-21)26-14-29(24(20)31)17-9-5-16(6-10-17)22(30)27-19-4-2-3-13-25-19/h2-14H,1H3,(H,25,27,30)
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using chromogenic substrate S-2238 by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062617
PNG
(CHEMBL3397685)
Show SMILES COc1cc(ccc1OC(C)=O)-c1noc2ncn(-c3ccc(cc3)N3CCOCC3=O)c(=O)c12
Show InChI InChI=1S/C24H20N4O7/c1-14(29)34-18-8-3-15(11-19(18)32-2)22-21-23(35-26-22)25-13-28(24(21)31)17-6-4-16(5-7-17)27-9-10-33-12-20(27)30/h3-8,11,13H,9-10,12H2,1-2H3
PDB

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of thrombin (unknown origin) using chromogenic substrate S-2238 by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50062617
PNG
(CHEMBL3397685)
Show SMILES COc1cc(ccc1OC(C)=O)-c1noc2ncn(-c3ccc(cc3)N3CCOCC3=O)c(=O)c12
Show InChI InChI=1S/C24H20N4O7/c1-14(29)34-18-8-3-15(11-19(18)32-2)22-21-23(35-26-22)25-13-28(24(21)31)17-6-4-16(5-7-17)27-9-10-33-12-20(27)30/h3-8,11,13H,9-10,12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem Lett 25: 492-5 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.039
BindingDB Entry DOI: 10.7270/Q2611201
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%