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PubMed code 25839438

Compile data set for download or QSAR
Found 19 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))		BDBM50377656
PNG
(CHEMBL259534)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-n2ccccc2=O)nc1
Show InChI InChI=1S/C24H17ClN4O3/c25-17-10-13-21(26-15-17)28-24(32)19-5-1-2-6-20(19)27-23(31)16-8-11-18(12-9-16)29-14-4-3-7-22(29)30/h1-15H,(H,27,31)(H,26,28,32)
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 0.140n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074114
PNG
(CHEMBL3409879)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)C2=Nc3ccc(Cl)cc3C2)C1=O)C(=O)N1CCOCC1 |r,t:10|
Show InChI InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10,12,16,22H,4-9,11H2,1H3/t12-,16-/m0/s1
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 90n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074125
PNG
(CHEMBL3409890)
Show SMILES COc1ccc(NC(=O)c2ccc(Cl)cc2)c(c1)C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C26H24ClN3O4/c1-34-21-13-14-23(29-25(32)17-5-7-18(27)8-6-17)22(16-21)26(33)28-19-9-11-20(12-10-19)30-15-3-2-4-24(30)31/h5-14,16H,2-4,15H2,1H3,(H,28,33)(H,29,32)
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n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074113
PNG
(CHEMBL3409878)
Show SMILES CN1CCC2N=C(SC2C1)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)s1 |r,c:5|
Show InChI InChI=1S/C20H27ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h6-7,12-14,16H,2-5,8-11H2,1H3,(H,22,26)(H,23,27)/t12-,13-,14?,16?/m1/s1
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n/an/a 27n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074123
PNG
(CHEMBL3409888)
Show SMILES COc1ccc(NC(=O)c2ccc(Cl)s2)c(c1)C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C24H22ClN3O4S/c1-32-17-9-10-19(27-24(31)20-11-12-21(25)33-20)18(14-17)23(30)26-15-5-7-16(8-6-15)28-13-3-2-4-22(28)29/h5-12,14H,2-4,13H2,1H3,(H,26,30)(H,27,31)
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n/an/a 67n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074126
PNG
(CHEMBL3409891)
Show SMILES COc1ccc(NC(=O)c2cccc(Cl)c2)c(c1)C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C26H24ClN3O4/c1-34-21-12-13-23(29-25(32)17-5-4-6-18(27)15-17)22(16-21)26(33)28-19-8-10-20(11-9-19)30-14-3-2-7-24(30)31/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,28,33)(H,29,32)
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n/an/a 183n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074127
PNG
(CHEMBL3409892)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C27H27N3O5/c1-34-21-12-6-18(7-13-21)26(32)29-24-15-14-22(35-2)17-23(24)27(33)28-19-8-10-20(11-9-19)30-16-4-3-5-25(30)31/h6-15,17H,3-5,16H2,1-2H3,(H,28,33)(H,29,32)
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n/an/a 286n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074115
PNG
(CHEMBL3409880)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cn2)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C25H22ClN5O6/c1-36-18-7-8-20(29-24(34)25(35)30-21-9-2-15(26)13-27-21)19(12-18)23(33)28-16-3-5-17(6-4-16)31-10-11-37-14-22(31)32/h2-9,12-13H,10-11,14H2,1H3,(H,28,33)(H,29,34)(H,27,30,35)
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n/an/a 298n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074128
PNG
(CHEMBL3409893)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(OC)cc1C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C27H27N3O5/c1-34-21-7-5-6-18(16-21)26(32)29-24-14-13-22(35-2)17-23(24)27(33)28-19-9-11-20(12-10-19)30-15-4-3-8-25(30)31/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,28,33)(H,29,32)
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n/an/a 378n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074119
PNG
(CHEMBL3409884)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C26H23ClN4O6/c1-36-20-10-11-22(30-26(35)25(34)29-17-4-2-16(27)3-5-17)21(14-20)24(33)28-18-6-8-19(9-7-18)31-12-13-37-15-23(31)32/h2-11,14H,12-13,15H2,1H3,(H,28,33)(H,29,34)(H,30,35)
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n/an/a 452n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074124
PNG
(CHEMBL3409889)
Show SMILES COc1ccc(NC(=O)c2ccccc2)c(c1)C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C26H25N3O4/c1-33-21-14-15-23(28-25(31)18-7-3-2-4-8-18)22(17-21)26(32)27-19-10-12-20(13-11-19)29-16-6-5-9-24(29)30/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,27,32)(H,28,31)
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n/an/a 521n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074122
PNG
(CHEMBL3409887)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C27H26N4O7/c1-36-20-9-5-18(6-10-20)29-26(34)27(35)30-23-12-11-21(37-2)15-22(23)25(33)28-17-3-7-19(8-4-17)31-13-14-38-16-24(31)32/h3-12,15H,13-14,16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)
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n/an/a 612n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074118
PNG
(CHEMBL3409883)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C26H23ClN4O6/c1-36-20-9-10-22(30-26(35)25(34)29-18-4-2-3-16(27)13-18)21(14-20)24(33)28-17-5-7-19(8-6-17)31-11-12-37-15-23(31)32/h2-10,13-14H,11-12,15H2,1H3,(H,28,33)(H,29,34)(H,30,35)
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n/an/a 621n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074120
PNG
(CHEMBL3409885)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C26H23FN4O6/c1-36-20-10-11-22(30-26(35)25(34)29-17-4-2-16(27)3-5-17)21(14-20)24(33)28-18-6-8-19(9-7-18)31-12-13-37-15-23(31)32/h2-11,14H,12-13,15H2,1H3,(H,28,33)(H,29,34)(H,30,35)
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n/an/a 678n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074117
PNG
(CHEMBL3409882)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C26H23ClN4O6/c1-36-18-10-11-21(29-25(34)26(35)30-22-5-3-2-4-20(22)27)19(14-18)24(33)28-16-6-8-17(9-7-16)31-12-13-37-15-23(31)32/h2-11,14H,12-13,15H2,1H3,(H,28,33)(H,29,34)(H,30,35)
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n/an/a 798n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074121
PNG
(CHEMBL3409886)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2ccccc2OC)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C27H26N4O7/c1-36-19-11-12-21(29-26(34)27(35)30-22-5-3-4-6-23(22)37-2)20(15-19)25(33)28-17-7-9-18(10-8-17)31-13-14-38-16-24(31)32/h3-12,15H,13-14,16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)
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n/an/a 828n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50074116
PNG
(CHEMBL3409881)
Show SMILES COc1ccc(NC(=O)C(=O)Nc2ccccc2)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C26H24N4O6/c1-35-20-11-12-22(29-26(34)25(33)28-17-5-3-2-4-6-17)21(15-20)24(32)27-18-7-9-19(10-8-18)30-13-14-36-16-23(30)31/h2-12,15H,13-14,16H2,1H3,(H,27,32)(H,28,33)(H,29,34)
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n/an/a 1.12E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectr...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50249298
PNG
(BEVYXXA | CHEMBL512351 | N-(5-chloropyridin-2-yl)-...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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n/an/a 1.80E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using acromogenic substrate S-2238 preincubated for 30 mins before substrate addition measured after 20 mins by spectrop...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50074125
PNG
(CHEMBL3409890)
Show SMILES COc1ccc(NC(=O)c2ccc(Cl)cc2)c(c1)C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C26H24ClN3O4/c1-34-21-13-14-23(29-25(32)17-5-7-18(27)8-6-17)22(16-21)26(33)28-19-9-11-20(12-10-19)30-15-3-2-4-24(30)31/h5-14,16H,2-4,15H2,1H3,(H,28,33)(H,29,32)
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n/an/a 4.80E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using acromogenic substrate S-2238 preincubated for 30 mins before substrate addition measured after 20 mins by spectrop...

Eur J Med Chem 95: 388-99 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.052
BindingDB Entry DOI: 10.7270/Q29G5PH4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%