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PubMed code 26114810

Compile data set for download or QSAR
Found 8 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))
BDBM50115828
PNG
(CHEMBL3612132)
Show SMILES NC(=O)c1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C26H18Cl2N4O4/c27-19-10-6-17(13-20(19)28)26(36)31-22-14-16(24(29)34)7-11-21(22)30-25(35)15-4-8-18(9-5-15)32-12-2-1-3-23(32)33/h1-14H,(H2,29,34)(H,30,35)(H,31,36)
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n/an/a 6.5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM7840
PNG
(RIVAROXABAN | US8822458, 44 | US8822458, 97)
Show SMILES Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Show InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
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Article
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n/an/a 14n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50115823
PNG
(CHEMBL3612128)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C28H23N5O5/c1-17(34)30-21-10-5-18(6-11-21)28(38)32-24-16-20(26(29)36)9-14-23(24)31-27(37)19-7-12-22(13-8-19)33-15-3-2-4-25(33)35/h2-16H,1H3,(H2,29,36)(H,30,34)(H,31,37)(H,32,38)
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n/an/a 16n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50115827
PNG
(CHEMBL3612122)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(ccc1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C28H24N4O6/c1-37-23-13-9-19(16-24(23)38-2)28(36)31-22-15-18(26(29)34)8-12-21(22)30-27(35)17-6-10-20(11-7-17)32-14-4-3-5-25(32)33/h3-16H,1-2H3,(H2,29,34)(H,30,35)(H,31,36)
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n/an/a 17n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50115824
PNG
(CHEMBL3612126)
Show SMILES NC(=O)c1ccc(NC(=O)c2ccc(cc2)-n2ccccc2=O)c(NC(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C26H19BrN4O4/c27-19-9-4-16(5-10-19)26(35)30-22-15-18(24(28)33)8-13-21(22)29-25(34)17-6-11-20(12-7-17)31-14-2-1-3-23(31)32/h1-15H,(H2,28,33)(H,29,34)(H,30,35)
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n/an/a 26n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50115826
PNG
(CHEMBL3612123)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C29H26N4O7/c1-38-23-15-19(16-24(39-2)26(23)40-3)29(37)32-22-14-18(27(30)35)9-12-21(22)31-28(36)17-7-10-20(11-8-17)33-13-5-4-6-25(33)34/h4-16H,1-3H3,(H2,30,35)(H,31,36)(H,32,37)
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n/an/a 29n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human F10a using S-2765 as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50115827
PNG
(CHEMBL3612122)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(ccc1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C28H24N4O6/c1-37-23-13-9-19(16-24(23)38-2)28(36)31-22-15-18(26(29)34)8-12-21(22)30-27(35)17-6-10-20(11-7-17)32-14-4-3-5-25(32)33/h3-16H,1-2H3,(H2,29,34)(H,30,35)(H,31,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of bovine plasma thrombin using S-2238 as substrate


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50115827
PNG
(CHEMBL3612122)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cc(ccc1NC(=O)c1ccc(cc1)-n1ccccc1=O)C(N)=O
Show InChI InChI=1S/C28H24N4O6/c1-37-23-13-9-19(16-24(23)38-2)28(36)31-22-15-18(26(29)34)8-12-21(22)30-27(35)17-6-10-20(11-7-17)32-14-4-3-5-25(32)33/h3-16H,1-2H3,(H2,29,34)(H,30,35)(H,31,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of trypsin (unknown origin) using S-2222 as substrate


Eur J Med Chem 101: 41-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.012
BindingDB Entry DOI: 10.7270/Q2TF004B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%