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PubMed code 22770607

Compile data set for download or QSAR
Found 54 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/antithrombin III


(Homo sapiens (human))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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PubMed
n/an/a 270n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386267
PNG
(CHEMBL2040979)
Show SMILES CN(C(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H30ClN3O3/c1-32(25-13-15-26(16-14-25)33-17-5-4-8-28(33)35)30(37)27-19-22-6-2-3-7-23(22)20-34(27)29(36)18-21-9-11-24(31)12-10-21/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386261
PNG
(CHEMBL2040973)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C29H28ClN3O4/c1-31(24-10-12-25(13-11-24)32-14-15-37-19-28(32)35)29(36)26-17-21-4-2-3-5-22(21)18-33(26)27(34)16-20-6-8-23(30)9-7-20/h2-13,26H,14-19H2,1H3/t26-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386259
PNG
(CHEMBL2040970)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H29Cl2N3O3/c1-33(24-11-13-25(14-12-24)34-15-5-4-8-28(34)36)30(38)27-16-20-6-2-3-7-22(20)19-35(27)29(37)17-21-9-10-23(31)18-26(21)32/h2-3,6-7,9-14,18,27H,4-5,8,15-17,19H2,1H3/t27-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386253
PNG
(CHEMBL2040963)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H30ClN3O3/c1-32(25-13-15-26(16-14-25)33-17-5-4-8-28(33)35)30(37)27-19-22-6-2-3-7-23(22)20-34(27)29(36)18-21-9-11-24(31)12-10-21/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386270
PNG
(CHEMBL2040982)
Show SMILES CCN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C30H30ClN3O4/c1-2-32(25-11-13-26(14-12-25)33-15-16-38-20-29(33)36)30(37)27-18-22-5-3-4-6-23(22)19-34(27)28(35)17-21-7-9-24(31)10-8-21/h3-14,27H,2,15-20H2,1H3/t27-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386266
PNG
(CHEMBL2040978)
Show SMILES ClCc1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C28H26ClN3O4/c29-16-19-5-7-20(8-6-19)28(35)32-17-22-4-2-1-3-21(22)15-25(32)27(34)30-23-9-11-24(12-10-23)31-13-14-36-18-26(31)33/h1-12,25H,13-18H2,(H,30,34)/t25-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386262
PNG
(CHEMBL2040974)
Show SMILES Cc1c(sc2ccc(Cl)cc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C30H26ClN3O4S/c1-18-24-15-21(31)6-11-26(24)39-28(18)30(37)34-16-20-5-3-2-4-19(20)14-25(34)29(36)32-22-7-9-23(10-8-22)33-12-13-38-17-27(33)35/h2-11,15,25H,12-14,16-17H2,1H3,(H,32,36)/t25-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386243
PNG
(CHEMBL2040952)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H27N3O5/c32-26-19-35-15-14-30(26)24-12-10-23(11-13-24)29-27(33)25-16-21-8-4-5-9-22(21)17-31(25)28(34)36-18-20-6-2-1-3-7-20/h1-13,25H,14-19H2,(H,29,33)/t25-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386272
PNG
(CHEMBL2040984)
Show SMILES COc1cc2C[C@H](N(Cc2cc1OC)C(=O)Cc1ccc(Cl)cc1)C(=O)N(C)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C32H34ClN3O5/c1-34(25-11-13-26(14-12-25)35-15-5-4-6-30(35)37)32(39)27-17-22-18-28(40-2)29(41-3)19-23(22)20-36(27)31(38)16-21-7-9-24(33)10-8-21/h7-14,18-19,27H,4-6,15-17,20H2,1-3H3/t27-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386278
PNG
(CHEMBL2041074)
Show SMILES Clc1ccc(CC(=O)N2CC=CC[C@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C24H24ClN3O4/c25-18-6-4-17(5-7-18)15-22(29)28-12-2-1-3-21(28)24(31)26-19-8-10-20(11-9-19)27-13-14-32-16-23(27)30/h1-2,4-11,21H,3,12-16H2,(H,26,31)/t21-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386238
PNG
(CHEMBL2040946)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N3O4/c33-27-12-6-7-17-31(27)25-15-13-24(14-16-25)30-28(34)26-18-22-10-4-5-11-23(22)19-32(26)29(35)36-20-21-8-2-1-3-9-21/h1-5,8-11,13-16,26H,6-7,12,17-20H2,(H,30,34)/t26-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386279
PNG
(CHEMBL2041075)
Show SMILES Clc1ccc(CC(=O)N2[C@@H]3CC[C@H](C3)[C@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C25H26ClN3O4/c26-18-4-1-16(2-5-18)13-22(30)29-21-8-3-17(14-21)24(29)25(32)27-19-6-9-20(10-7-19)28-11-12-33-15-23(28)31/h1-2,4-7,9-10,17,21,24H,3,8,11-15H2,(H,27,32)/t17-,21-,24+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386241
PNG
(CHEMBL2040950)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C29H29N3O5/c1-30(24-11-13-25(14-12-24)31-15-16-36-20-27(31)33)28(34)26-17-22-9-5-6-10-23(22)18-32(26)29(35)37-19-21-7-3-2-4-8-21/h2-14,26H,15-20H2,1H3/t26-/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386269
PNG
(CHEMBL2040981)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H26F3N3O3/c30-29(31,32)22-10-8-19(9-11-22)28(38)35-18-21-6-2-1-5-20(21)17-25(35)27(37)33-23-12-14-24(15-13-23)34-16-4-3-7-26(34)36/h1-2,5-6,8-15,25H,3-4,7,16-18H2,(H,33,37)/t25-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386254
PNG
(CHEMBL2040964)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(C)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C31H33N3O3/c1-22-10-12-23(13-11-22)19-30(36)34-21-25-8-4-3-7-24(25)20-28(34)31(37)32(2)26-14-16-27(17-15-26)33-18-6-5-9-29(33)35/h3-4,7-8,10-17,28H,5-6,9,18-21H2,1-2H3/t28-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386239
PNG
(CHEMBL2040947)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H31N3O4/c1-31(25-14-16-26(17-15-25)32-18-8-7-13-28(32)34)29(35)27-19-23-11-5-6-12-24(23)20-33(27)30(36)37-21-22-9-3-2-4-10-22/h2-6,9-12,14-17,27H,7-8,13,18-21H2,1H3/t27-/m0/s1
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n/an/a 1.64E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386258
PNG
(CHEMBL2040969)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H29Cl2N3O3/c1-33(23-10-12-24(13-11-23)34-15-5-4-8-28(34)36)30(38)27-18-21-6-2-3-7-22(21)19-35(27)29(37)17-20-9-14-25(31)26(32)16-20/h2-3,6-7,9-14,16,27H,4-5,8,15,17-19H2,1H3/t27-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386242
PNG
(CHEMBL2040951)
Show SMILES CCN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C30H31N3O5/c1-2-31(25-12-14-26(15-13-25)32-16-17-37-21-28(32)34)29(35)27-18-23-10-6-7-11-24(23)19-33(27)30(36)38-20-22-8-4-3-5-9-22/h3-15,27H,2,16-21H2,1H3/t27-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386240
PNG
(CHEMBL2040949)
Show SMILES CC(C)N(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C32H35N3O4/c1-23(2)35(28-17-15-27(16-18-28)33-19-9-8-14-30(33)36)31(37)29-20-25-12-6-7-13-26(25)21-34(29)32(38)39-22-24-10-4-3-5-11-24/h3-7,10-13,15-18,23,29H,8-9,14,19-22H2,1-2H3/t29-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386252
PNG
(CHEMBL2040962)
Show SMILES COc1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H31N3O4/c1-31(24-12-14-25(15-13-24)32-18-6-5-9-28(32)34)30(36)27-19-22-7-3-4-8-23(22)20-33(27)29(35)21-10-16-26(37-2)17-11-21/h3-4,7-8,10-17,27H,5-6,9,18-20H2,1-2H3/t27-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386235
PNG
(CHEMBL2040948)
Show SMILES CCN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C31H33N3O4/c1-2-32(26-15-17-27(18-16-26)33-19-9-8-14-29(33)35)30(36)28-20-24-12-6-7-13-25(24)21-34(28)31(37)38-22-23-10-4-3-5-11-23/h3-7,10-13,15-18,28H,2,8-9,14,19-22H2,1H3/t28-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386277
PNG
(CHEMBL2040990)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C24H26ClN3O4/c25-18-6-4-17(5-7-18)15-22(29)28-12-2-1-3-21(28)24(31)26-19-8-10-20(11-9-19)27-13-14-32-16-23(27)30/h4-11,21H,1-3,12-16H2,(H,26,31)/t21-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386255
PNG
(CHEMBL2040965)
Show SMILES COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCCCC2=O)cc1
Show InChI InChI=1S/C31H33N3O4/c1-32(25-12-14-26(15-13-25)33-18-6-5-9-29(33)35)31(37)28-20-23-7-3-4-8-24(23)21-34(28)30(36)19-22-10-16-27(38-2)17-11-22/h3-4,7-8,10-17,28H,5-6,9,18-21H2,1-2H3/t28-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386260
PNG
(CHEMBL2040972)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C26H24ClN3O4S/c1-28(19-6-8-20(9-7-19)29-12-13-34-16-24(29)31)25(32)21-14-17-4-2-3-5-18(17)15-30(21)26(33)22-10-11-23(27)35-22/h2-11,21H,12-16H2,1H3/t21-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386248
PNG
(CHEMBL2040958)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccs1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C27H27N3O3S/c1-28(21-11-13-22(14-12-21)29-15-5-4-10-25(29)31)26(32)23-17-19-7-2-3-8-20(19)18-30(23)27(33)24-9-6-16-34-24/h2-3,6-9,11-14,16,23H,4-5,10,15,17-18H2,1H3/t23-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386273
PNG
(CHEMBL2040985)
Show SMILES CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H30ClN3O3/c1-32(24-14-16-25(17-15-24)33-18-6-5-9-28(33)35)29(36)26(19-21-7-3-2-4-8-21)31-27(34)20-22-10-12-23(30)13-11-22/h2-4,7-8,10-17,26H,5-6,9,18-20H2,1H3,(H,31,34)/t26-/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386249
PNG
(CHEMBL2040959)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C27H26ClN3O3S/c1-29(20-9-11-21(12-10-20)30-15-5-4-8-25(30)32)26(33)22-16-18-6-2-3-7-19(18)17-31(22)27(34)23-13-14-24(28)35-23/h2-3,6-7,9-14,22H,4-5,8,15-17H2,1H3/t22-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386276
PNG
(CHEMBL2040989)
Show SMILES CN(C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C23H26ClN3O3S/c1-25(17-7-9-18(10-8-17)27-14-3-2-6-21(27)28)22(29)16-5-4-13-26(15-16)23(30)19-11-12-20(24)31-19/h7-12,16H,2-6,13-15H2,1H3/t16-/m1/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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n/an/a 7.53E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of bovine alpha-chymotrypsin using chromogenic spectrozyme CTY as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386256
PNG
(CHEMBL2040966)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H30N4O5/c1-31(24-13-15-25(16-14-24)32-17-5-4-8-28(32)35)30(37)27-19-22-6-2-3-7-23(22)20-33(27)29(36)18-21-9-11-26(12-10-21)34(38)39/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386275
PNG
(CHEMBL2040988)
Show SMILES CN(C(=O)[C@H]1CCCCN1C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C23H26ClN3O3S/c1-25(16-8-10-17(11-9-16)26-14-5-3-7-21(26)28)22(29)18-6-2-4-15-27(18)23(30)19-12-13-20(24)31-19/h8-13,18H,2-7,14-15H2,1H3/t18-/m1/s1
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n/an/a 9.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386281
PNG
(CHEMBL2040971)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ncc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C34H33ClN4O4/c1-37(27-13-15-28(16-14-27)38-19-5-4-8-32(38)40)34(42)29-20-24-6-2-3-7-25(24)22-39(29)33(41)18-17-31-36-21-30(43-31)23-9-11-26(35)12-10-23/h2-3,6-7,9-16,21,29H,4-5,8,17-20,22H2,1H3/t29-/m0/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386282
PNG
(CHEMBL2040852)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H30ClN3O4S/c1-31(25-13-15-26(16-14-25)32-17-5-4-8-28(32)34)29(35)27-18-22-6-2-3-7-23(22)19-33(27)38(36,37)20-21-9-11-24(30)12-10-21/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m0/s1
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n/an/a 1.51E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386263
PNG
(CHEMBL2040975)
Show SMILES COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C31H33N3O5/c1-32(25-10-12-26(13-11-25)33-17-18-39-21-30(33)36)31(37)28-19-23-5-3-4-6-24(23)20-34(28)29(35)16-9-22-7-14-27(38-2)15-8-22/h3-8,10-15,28H,9,16-21H2,1-2H3/t28-/m0/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386250
PNG
(CHEMBL2040960)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H28ClN3O3/c1-31(24-13-15-25(16-14-24)32-17-5-4-8-27(32)34)29(36)26-18-21-6-2-3-7-22(21)19-33(26)28(35)20-9-11-23(30)12-10-20/h2-3,6-7,9-16,26H,4-5,8,17-19H2,1H3/t26-/m0/s1
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n/an/a 1.97E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386251
PNG
(CHEMBL2040961)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H31N3O3/c1-21-10-12-22(13-11-21)29(35)33-20-24-8-4-3-7-23(24)19-27(33)30(36)31(2)25-14-16-26(17-15-25)32-18-6-5-9-28(32)34/h3-4,7-8,10-17,27H,5-6,9,18-20H2,1-2H3/t27-/m0/s1
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n/an/a 2.09E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386280
PNG
(CHEMBL2040957)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C27H33N3O4/c1-27(2,3)34-26(33)30-18-20-10-6-5-9-19(20)17-23(30)25(32)28(4)21-12-14-22(15-13-21)29-16-8-7-11-24(29)31/h5-6,9-10,12-15,23H,7-8,11,16-18H2,1-4H3/t23-/m0/s1
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n/an/a 2.21E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386257
PNG
(CHEMBL2040968)
Show SMILES COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCCCC2=O)cc1OC
Show InChI InChI=1S/C32H35N3O5/c1-33(25-12-14-26(15-13-25)34-17-7-6-10-30(34)36)32(38)27-20-23-8-4-5-9-24(23)21-35(27)31(37)19-22-11-16-28(39-2)29(18-22)40-3/h4-5,8-9,11-16,18,27H,6-7,10,17,19-21H2,1-3H3/t27-/m0/s1
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n/an/a 2.46E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386268
PNG
(CHEMBL2040980)
Show SMILES CN(C(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C31H30F3N3O3/c1-35(25-13-15-26(16-14-25)36-17-5-4-8-28(36)38)30(40)27-19-22-6-2-3-7-23(22)20-37(27)29(39)18-21-9-11-24(12-10-21)31(32,33)34/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m1/s1
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n/an/a 3.11E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386236
PNG
(CHEMBL2040967)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C31H30F3N3O3/c1-35(25-13-15-26(16-14-25)36-17-5-4-8-28(36)38)30(40)27-19-22-6-2-3-7-23(22)20-37(27)29(39)18-21-9-11-24(12-10-21)31(32,33)34/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m0/s1
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n/an/a 3.35E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386274
PNG
(CHEMBL2040987)
Show SMILES CN(C(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C23H26ClN3O3S/c1-25(16-8-10-17(11-9-16)26-14-5-3-7-21(26)28)22(29)18-6-2-4-15-27(18)23(30)19-12-13-20(24)31-19/h8-13,18H,2-7,14-15H2,1H3/t18-/m0/s1
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n/an/a 3.58E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386237
PNG
(CHEMBL2040986)
Show SMILES CN(C(=O)[C@H]1CCCN(C1)C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C26H30ClN3O3/c1-28(22-11-13-23(14-12-22)30-16-3-2-6-24(30)31)26(33)20-5-4-15-29(18-20)25(32)17-19-7-9-21(27)10-8-19/h7-14,20H,2-6,15-18H2,1H3/t20-/m0/s1
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n/an/a 3.71E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 2a using chromogenic spectrozyme TH as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386264
PNG
(CHEMBL2040976)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(cs1)-c1ccc(Br)cc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C32H28BrN3O4S/c1-34(26-10-12-27(13-11-26)35-14-15-40-19-30(35)37)31(38)28-16-22-4-2-3-5-23(22)18-36(28)32(39)29-17-24(20-41-29)21-6-8-25(33)9-7-21/h2-13,17,20,28H,14-16,18-19H2,1H3/t28-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386245
PNG
(CHEMBL2040954)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H31N3O3/c33-28(30-25-13-15-26(16-14-25)31-17-7-2-8-18-31)27-19-23-11-5-6-12-24(23)20-32(27)29(34)35-21-22-9-3-1-4-10-22/h1,3-6,9-16,27H,2,7-8,17-21H2,(H,30,33)/t27-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386265
PNG
(CHEMBL2040977)
Show SMILES COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCOCC2=O)c(OC)c1
Show InChI InChI=1S/C32H35N3O6/c1-33(25-10-12-26(13-11-25)34-16-17-41-21-31(34)37)32(38)28-18-23-6-4-5-7-24(23)20-35(28)30(36)15-9-22-8-14-27(39-2)19-29(22)40-3/h4-8,10-14,19,28H,9,15-18,20-21H2,1-3H3/t28-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386244
PNG
(CHEMBL2040953)
Show SMILES Clc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C24H21ClN2O3/c25-20-10-12-21(13-11-20)26-23(28)22-14-18-8-4-5-9-19(18)15-27(22)24(29)30-16-17-6-2-1-3-7-17/h1-13,22H,14-16H2,(H,26,28)/t22-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386246
PNG
(CHEMBL2040955)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C30H32N4O4/c1-22(35)32-15-17-33(18-16-32)27-13-11-26(12-14-27)31-29(36)28-19-24-9-5-6-10-25(24)20-34(28)30(37)38-21-23-7-3-2-4-8-23/h2-14,28H,15-21H2,1H3,(H,31,36)/t28-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of factor 12a using chromogenic spectrozyme 12a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using chromogenic S2366 as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386247
PNG
(CHEMBL2040956)
Show SMILES O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H32N4O4S/c38-31(29-21-25-9-4-5-10-26(25)22-37(29)33(40)41-23-24-7-2-1-3-8-24)34-27-12-14-28(15-13-27)35-16-18-36(19-17-35)32(39)30-11-6-20-42-30/h1-15,20,29H,16-19,21-23H2,(H,34,38)/t29-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor IX and X


(Homo sapiens (human))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 9a using chromogenic spectrozyme 9a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a using chromogenic spectrozyme 7a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%