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PubMed code 9784099

Compile data set for download or QSAR
Found 84 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))
BDBM50041224
PNG
((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1
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7n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50041224
PNG
((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1
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41n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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450n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067525
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-3-30-21(27)18(12-15-5-4-6-16(11-15)20(22)23)25-19(26)13-24-31(28,29)17-9-7-14(2)8-10-17/h4-11,18,24H,3,12-13H2,1-2H3,(H3,22,23)(H,25,26)
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460n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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500n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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530n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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580n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50041224
PNG
((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1
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620n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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640n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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820n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067532
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)
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840n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067525
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-3-30-21(27)18(12-15-5-4-6-16(11-15)20(22)23)25-19(26)13-24-31(28,29)17-9-7-14(2)8-10-17/h4-11,18,24H,3,12-13H2,1-2H3,(H3,22,23)(H,25,26)
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1.30E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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1.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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1.80E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067532
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)
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1.80E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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2.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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3.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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3.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067532
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)
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3.90E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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4.20E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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4.20E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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4.80E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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5.20E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067532
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)
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5.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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7.10E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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7.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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8.60E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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8.70E+3n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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1.10E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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1.20E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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1.30E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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1.40E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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1.40E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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1.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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1.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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1.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067525
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-3-30-21(27)18(12-15-5-4-6-16(11-15)20(22)23)25-19(26)13-24-31(28,29)17-9-7-14(2)8-10-17/h4-11,18,24H,3,12-13H2,1-2H3,(H3,22,23)(H,25,26)
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1.70E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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1.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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1.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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1.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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1.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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1.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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1.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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2.00E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Trypsin II


(Bos taurus)
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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2.00E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypsin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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2.50E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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2.70E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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2.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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2.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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2.90E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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3.60E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against plasma kallikrein


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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4.10E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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4.30E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067525
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfony...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C21H26N4O5S/c1-3-30-21(27)18(12-15-5-4-6-16(11-15)20(22)23)25-19(26)13-24-31(28,29)17-9-7-14(2)8-10-17/h4-11,18,24H,3,12-13H2,1-2H3,(H3,22,23)(H,25,26)
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4.60E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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4.80E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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5.20E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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5.70E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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5.70E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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8.00E+4n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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1.60E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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1.80E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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1.80E+5n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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>1.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against the anticoagulant Activated protein C


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against microPa.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Plasmin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50041224
PNG
((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1
PDB

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>2.00E+6n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Thrombin.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067529
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-4-3-5-15(10-13)20(24)25)27-18(28)12-26-33(30,31)16-8-6-14(7-9-16)19(22)23/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067528
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-4-3-5-15(10-13)19(22)23)26-18(27)12-25-33(29,30)16-8-6-14(7-9-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067522
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(22)23)27-18(28)12-26-33(30,31)16-9-7-15(8-10-16)20(24)25/h3-10,17,26H,2,11-12H2,1H3,(H3,22,23)(H3,24,25)(H,27,28)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067524
PNG
(3-(3-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-15-4-3-5-16(10-15)20(23)24)26-19(27)13-25-32(29,30)17-8-6-14(12-22)7-9-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067526
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc(cc2)C(N)=N)C(O)=O)cc1
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-3-1-11(2-4-12)9-15(19(27)28)25-16(26)10-24-31(29,30)14-7-5-13(6-8-14)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067523
PNG
(2-[2-(4-Carbamimidoyl-benzenesulfonylamino)-acetyl...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc1cccc(c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C19H22N6O5S/c20-17(21)12-4-6-14(7-5-12)31(29,30)24-10-16(26)25-15(19(27)28)9-11-2-1-3-13(8-11)18(22)23/h1-8,15,24H,9-10H2,(H3,20,21)(H3,22,23)(H,25,26)(H,27,28)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067527
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S
Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50067530
PNG
(3-(4-Carbamimidoyl-phenyl)-2-[2-(4-cyano-benzenesu...)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H23N5O5S/c1-2-31-21(28)18(11-14-3-7-16(8-4-14)20(23)24)26-19(27)13-25-32(29,30)17-9-5-15(12-22)6-10-17/h3-10,18,25H,2,11,13H2,1H3,(H3,23,24)(H,26,27)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Tryptase.


J Med Chem 41: 4240-50 (1998)


Article DOI: 10.1021/jm980227t
BindingDB Entry DOI: 10.7270/Q27D2T86
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%