Found 100 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM23916
(3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257511
((S)-methyl 4-(1-(2-(3-(3-aminopropanamido)phenylsu...)Show SMILES COC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H40N6O6S/c1-41-27(37)10-3-5-20-12-15-35(16-13-20)29(38)25(18-21-6-2-7-22(17-21)28(31)32)34-42(39,40)24-9-4-8-23(19-24)33-26(36)11-14-30/h2,4,6-9,17,19-20,25,34H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,36)/t25-/m0/s1 | PDB
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PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257512
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104914
(CHEMBL507322 | US8569313, Inhibitor 26)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1 | PDB
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PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257557
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r| Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104911
(CHEMBL493116 | US8569313, Inhibitor 23)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-7-22(33)30-19-5-2-6-20(15-19)38(36,37)31-21(14-16-3-1-4-18(13-16)23(27)28)25(35)32-11-8-17(9-12-32)24(29)34/h1-6,13,15,17,21,31H,7-12,14,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t21-/m0/s1 | PDB
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257666
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1 | PDB
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104912
(CHEMBL493936 | US8569313, Inhibitor 24)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-9-22(33)30-19-7-2-8-20(14-19)38(36,37)31-21(13-16-4-1-5-17(12-16)23(27)28)25(35)32-11-3-6-18(15-32)24(29)34/h1-2,4-5,7-8,12,14,18,21,31H,3,6,9-11,13,15,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t18?,21-/m0/s1 | PDB
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PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257663
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257664
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1 | PDB
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PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257665
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-9-12-31(13-10-17)25(33)22(15-18-4-2-5-19(14-18)24(27)28)30-36(34,35)21-7-3-6-20(16-21)29-23(32)8-11-26/h2-7,14,16-17,22,30H,8-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t22-/m0/s1 | PDB
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PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257667
((S)-4-(4-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C28H38N8O6S/c1-32-24(37)8-9-26(39)35-12-14-36(15-13-35)28(40)23(17-19-4-2-5-20(16-19)27(30)31)34-43(41,42)22-7-3-6-21(18-22)33-25(38)10-11-29/h2-7,16,18,23,34H,8-15,17,29H2,1H3,(H3,30,31)(H,32,37)(H,33,38)/t23-/m0/s1 | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM104913
(CHEMBL523865 | US8569313, Inhibitor 25)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H35N7O6S/c1-2-39-26(36)33-13-11-32(12-14-33)25(35)22(16-18-5-3-6-19(15-18)24(28)29)31-40(37,38)21-8-4-7-20(17-21)30-23(34)9-10-27/h3-8,15,17,22,31H,2,9-14,16,27H2,1H3,(H3,28,29)(H,30,34)/t22-/m0/s1 | PDB
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PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257761
((R)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22+/m0/s1 | PDB
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257761
((R)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22+/m0/s1 | PDB
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257665
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-9-12-31(13-10-17)25(33)22(15-18-4-2-5-19(14-18)24(27)28)30-36(34,35)21-7-3-6-20(16-21)29-23(32)8-11-26/h2-7,14,16-17,22,30H,8-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t22-/m0/s1 | PDB
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PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257706
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1 | PDB
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PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257707
((R)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21+/m0/s1 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257510
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r| Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1 | PDB
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| Article
PubMed
| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257663
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1 | PDB
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| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257666
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1 | PDB
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PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257760
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1 | PDB
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PubMed
| 395 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257760
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1 | PDB
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PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257511
((S)-methyl 4-(1-(2-(3-(3-aminopropanamido)phenylsu...)Show SMILES COC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H40N6O6S/c1-41-27(37)10-3-5-20-12-15-35(16-13-20)29(38)25(18-21-6-2-7-22(17-21)28(31)32)34-42(39,40)24-9-4-8-23(19-24)33-26(36)11-14-30/h2,4,6-9,17,19-20,25,34H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,36)/t25-/m0/s1 | PDB
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PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257557
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r| Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1 | PDB
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PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257512
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1 | PDB
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PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257664
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM104911
(CHEMBL493116 | US8569313, Inhibitor 23)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-7-22(33)30-19-5-2-6-20(15-19)38(36,37)31-21(14-16-3-1-4-18(13-16)23(27)28)25(35)32-11-8-17(9-12-32)24(29)34/h1-6,13,15,17,21,31H,7-12,14,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t21-/m0/s1 | PDB
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Reactome pathway
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM104911
(CHEMBL493116 | US8569313, Inhibitor 23)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-7-22(33)30-19-5-2-6-20(15-19)38(36,37)31-21(14-16-3-1-4-18(13-16)23(27)28)25(35)32-11-8-17(9-12-32)24(29)34/h1-6,13,15,17,21,31H,7-12,14,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t21-/m0/s1 | PDB
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| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM104914
(CHEMBL507322 | US8569313, Inhibitor 26)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1 | PDB
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Reactome pathway
KEGG
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Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM104912
(CHEMBL493936 | US8569313, Inhibitor 24)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-9-22(33)30-19-7-2-8-20(14-19)38(36,37)31-21(13-16-4-1-5-17(12-16)23(27)28)25(35)32-11-3-6-18(15-32)24(29)34/h1-2,4-5,7-8,12,14,18,21,31H,3,6,9-11,13,15,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t18?,21-/m0/s1 | PDB
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Reactome pathway
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Similars
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PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM104914
(CHEMBL507322 | US8569313, Inhibitor 26)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1 | PDB
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PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257512
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM23916
(3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM104912
(CHEMBL493936 | US8569313, Inhibitor 24)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-9-22(33)30-19-7-2-8-20(14-19)38(36,37)31-21(13-16-4-1-5-17(12-16)23(27)28)25(35)32-11-3-6-18(15-32)24(29)34/h1-2,4-5,7-8,12,14,18,21,31H,3,6,9-11,13,15,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t18?,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257664
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257557
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r| Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257666
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257707
((R)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257762
((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257706
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257511
((S)-methyl 4-(1-(2-(3-(3-aminopropanamido)phenylsu...)Show SMILES COC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H40N6O6S/c1-41-27(37)10-3-5-20-12-15-35(16-13-20)29(38)25(18-21-6-2-7-22(17-21)28(31)32)34-42(39,40)24-9-4-8-23(19-24)33-26(36)11-14-30/h2,4,6-9,17,19-20,25,34H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,36)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM104911
(CHEMBL493116 | US8569313, Inhibitor 23)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-7-22(33)30-19-5-2-6-20(15-19)38(36,37)31-21(14-16-3-1-4-18(13-16)23(27)28)25(35)32-11-8-17(9-12-32)24(29)34/h1-6,13,15,17,21,31H,7-12,14,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257706
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257664
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257663
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257666
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257511
((S)-methyl 4-(1-(2-(3-(3-aminopropanamido)phenylsu...)Show SMILES COC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H40N6O6S/c1-41-27(37)10-3-5-20-12-15-35(16-13-20)29(38)25(18-21-6-2-7-22(17-21)28(31)32)34-42(39,40)24-9-4-8-23(19-24)33-26(36)11-14-30/h2,4,6-9,17,19-20,25,34H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,36)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257557
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r| Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257665
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-9-12-31(13-10-17)25(33)22(15-18-4-2-5-19(14-18)24(27)28)30-36(34,35)21-7-3-6-20(16-21)29-23(32)8-11-26/h2-7,14,16-17,22,30H,8-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257510
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r| Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM104914
(CHEMBL507322 | US8569313, Inhibitor 26)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257512
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM104911
(CHEMBL493116 | US8569313, Inhibitor 23)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-7-22(33)30-19-5-2-6-20(15-19)38(36,37)31-21(14-16-3-1-4-18(13-16)23(27)28)25(35)32-11-8-17(9-12-32)24(29)34/h1-6,13,15,17,21,31H,7-12,14,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257663
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257666
((S)-3-amino-N-(3-(N-(1-(4-benzylpiperidin-1-yl)-3-...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C31H38N6O4S/c32-15-12-29(38)35-26-10-5-11-27(21-26)42(40,41)36-28(20-24-8-4-9-25(19-24)30(33)34)31(39)37-16-13-23(14-17-37)18-22-6-2-1-3-7-22/h1-11,19,21,23,28,36H,12-18,20,32H2,(H3,33,34)(H,35,38)/t28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257667
((S)-4-(4-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C28H38N8O6S/c1-32-24(37)8-9-26(39)35-12-14-36(15-13-35)28(40)23(17-19-4-2-5-20(16-19)27(30)31)34-43(41,42)22-7-3-6-21(18-22)33-25(38)10-11-29/h2-7,16,18,23,34H,8-15,17,29H2,1H3,(H3,30,31)(H,32,37)(H,33,38)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257665
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-9-12-31(13-10-17)25(33)22(15-18-4-2-5-19(14-18)24(27)28)30-36(34,35)21-7-3-6-20(16-21)29-23(32)8-11-26/h2-7,14,16-17,22,30H,8-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257760
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257761
((R)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM23916
(3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM104913
(CHEMBL523865 | US8569313, Inhibitor 25)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H35N7O6S/c1-2-39-26(36)33-13-11-32(12-14-33)25(35)22(16-18-5-3-6-19(15-18)24(28)29)31-40(37,38)21-8-4-7-20(17-21)30-23(34)9-10-27/h3-8,15,17,22,31H,2,9-14,16,27H2,1H3,(H3,28,29)(H,30,34)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM23916
(3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257511
((S)-methyl 4-(1-(2-(3-(3-aminopropanamido)phenylsu...)Show SMILES COC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H40N6O6S/c1-41-27(37)10-3-5-20-12-15-35(16-13-20)29(38)25(18-21-6-2-7-22(17-21)28(31)32)34-42(39,40)24-9-4-8-23(19-24)33-26(36)11-14-30/h2,4,6-9,17,19-20,25,34H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,36)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257665
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES CC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-9-12-31(13-10-17)25(33)22(15-18-4-2-5-19(14-18)24(27)28)30-36(34,35)21-7-3-6-20(16-21)29-23(32)8-11-26/h2-7,14,16-17,22,30H,8-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257707
((R)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM104912
(CHEMBL493936 | US8569313, Inhibitor 24)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-9-22(33)30-19-7-2-8-20(14-19)38(36,37)31-21(13-16-4-1-5-17(12-16)23(27)28)25(35)32-11-3-6-18(15-32)24(29)34/h1-2,4-5,7-8,12,14,18,21,31H,3,6,9-11,13,15,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t18?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257557
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(N)=O)CC1 |r| Show InChI InChI=1S/C28H39N7O5S/c29-13-10-26(37)33-22-7-3-8-23(18-22)41(39,40)34-24(17-20-5-1-6-21(16-20)27(31)32)28(38)35-14-11-19(12-15-35)4-2-9-25(30)36/h1,3,5-8,16,18-19,24,34H,2,4,9-15,17,29H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257706
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM104913
(CHEMBL523865 | US8569313, Inhibitor 25)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H35N7O6S/c1-2-39-26(36)33-13-11-32(12-14-33)25(35)22(16-18-5-3-6-19(15-18)24(28)29)31-40(37,38)21-8-4-7-20(17-21)30-23(34)9-10-27/h3-8,15,17,22,31H,2,9-14,16,27H2,1H3,(H3,28,29)(H,30,34)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257707
((R)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM23916
(3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...)Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257512
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C29H41N7O5S/c1-33-26(37)10-3-5-20-12-15-36(16-13-20)29(39)25(18-21-6-2-7-22(17-21)28(31)32)35-42(40,41)24-9-4-8-23(19-24)34-27(38)11-14-30/h2,4,6-9,17,19-20,25,35H,3,5,10-16,18,30H2,1H3,(H3,31,32)(H,33,37)(H,34,38)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257663
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C24H32N6O4S/c25-11-10-22(31)28-19-8-5-9-20(16-19)35(33,34)29-21(24(32)30-12-2-1-3-13-30)15-17-6-4-7-18(14-17)23(26)27/h4-9,14,16,21,29H,1-3,10-13,15,25H2,(H3,26,27)(H,28,31)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257762
((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Suppressor of tumorigenicity 14 protein
(Homo sapiens (Human)) | BDBM50257811
((S)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of matriptase (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257707
((R)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM104913
(CHEMBL523865 | US8569313, Inhibitor 25)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H35N7O6S/c1-2-39-26(36)33-13-11-32(12-14-33)25(35)22(16-18-5-3-6-19(15-18)24(28)29)31-40(37,38)21-8-4-7-20(17-21)30-23(34)9-10-27/h3-8,15,17,22,31H,2,9-14,16,27H2,1H3,(H3,28,29)(H,30,34)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257510
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r| Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257706
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-(...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C29H35N7O5S/c30-12-11-27(38)33-22-5-2-6-25(19-22)42(40,41)34-26(18-20-3-1-4-21(17-20)28(31)32)29(39)36-15-13-35(14-16-36)23-7-9-24(37)10-8-23/h1-10,17,19,26,34,37H,11-16,18,30H2,(H3,31,32)(H,33,38)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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PubMed
| 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM104912
(CHEMBL493936 | US8569313, Inhibitor 24)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC(C1)C(N)=O |r| Show InChI InChI=1S/C25H33N7O5S/c26-10-9-22(33)30-19-7-2-8-20(14-19)38(36,37)31-21(13-16-4-1-5-17(12-16)23(27)28)25(35)32-11-3-6-18(15-32)24(29)34/h1-2,4-5,7-8,12,14,18,21,31H,3,6,9-11,13,15,26H2,(H3,27,28)(H2,29,34)(H,30,33)/t18?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257667
((S)-4-(4-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C28H38N8O6S/c1-32-24(37)8-9-26(39)35-12-14-36(15-13-35)28(40)23(17-19-4-2-5-20(16-19)27(30)31)34-43(41,42)22-7-3-6-21(18-22)33-25(38)10-11-29/h2-7,16,18,23,34H,8-15,17,29H2,1H3,(H3,30,31)(H,32,37)(H,33,38)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257510
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r| Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257760
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257510
((S)-4-(1-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCCC(O)=O)CC1 |r| Show InChI InChI=1S/C28H38N6O6S/c29-13-10-25(35)32-22-7-3-8-23(18-22)41(39,40)33-24(17-20-5-1-6-21(16-20)27(30)31)28(38)34-14-11-19(12-15-34)4-2-9-26(36)37/h1,3,5-8,16,18-19,24,33H,2,4,9-15,17,29H2,(H3,30,31)(H,32,35)(H,36,37)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM104914
(CHEMBL507322 | US8569313, Inhibitor 26)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257761
((R)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM104913
(CHEMBL523865 | US8569313, Inhibitor 25)Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H35N7O6S/c1-2-39-26(36)33-13-11-32(12-14-33)25(35)22(16-18-5-3-6-19(15-18)24(28)29)31-40(37,38)21-8-4-7-20(17-21)30-23(34)9-10-27/h3-8,15,17,22,31H,2,9-14,16,27H2,1H3,(H3,28,29)(H,30,34)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257667
((S)-4-(4-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C28H38N8O6S/c1-32-24(37)8-9-26(39)35-12-14-36(15-13-35)28(40)23(17-19-4-2-5-20(16-19)27(30)31)34-43(41,42)22-7-3-6-21(18-22)33-25(38)10-11-29/h2-7,16,18,23,34H,8-15,17,29H2,1H3,(H3,30,31)(H,32,37)(H,33,38)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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Similars
| Article
PubMed
| 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257811
((S)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257760
(3-amino-N-(3-(N-((2S)-3-(3-carbamimidoylphenyl)-1-...)Show SMILES CC1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C25H34N6O4S/c1-17-6-2-3-13-31(17)25(33)22(15-18-7-4-8-19(14-18)24(27)28)30-36(34,35)21-10-5-9-20(16-21)29-23(32)11-12-26/h4-5,7-10,14,16-17,22,30H,2-3,6,11-13,15,26H2,1H3,(H3,27,28)(H,29,32)/t17?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257667
((S)-4-(4-(2-(3-(3-aminopropanamido)phenylsulfonami...)Show SMILES CNC(=O)CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C28H38N8O6S/c1-32-24(37)8-9-26(39)35-12-14-36(15-13-35)28(40)23(17-19-4-2-5-20(16-19)27(30)31)34-43(41,42)22-7-3-6-21(18-22)33-25(38)10-11-29/h2-7,16,18,23,34H,8-15,17,29H2,1H3,(H3,30,31)(H,32,37)(H,33,38)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257762
((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257664
((S)-3-amino-N-(3-(N-(3-(3-carbamimidoylphenyl)-1-o...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C23H31N7O4S/c24-8-7-21(31)28-18-5-2-6-19(15-18)35(33,34)29-20(23(32)30-11-9-27-10-12-30)14-16-3-1-4-17(13-16)22(25)26/h1-6,13,15,20,27,29H,7-12,14,24H2,(H3,25,26)(H,28,31)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
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Similars
| Article
PubMed
| 7.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257761
((R)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50257811
((S)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of plasmin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257762
((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50257762
((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...)Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50257811
((S)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.59E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
Urokinase-type plasminogen activator
(Homo sapiens (Human)) | BDBM50257811
((S)-1-((S)-2-(3-(3-aminopropanamido)phenylsulfonam...)Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C25H32N6O6S/c26-11-10-22(32)29-18-7-4-8-19(15-18)38(36,37)30-20(14-16-5-3-6-17(13-16)23(27)28)24(33)31-12-2-1-9-21(31)25(34)35/h3-8,13,15,20-21,30H,1-2,9-12,14,26H2,(H3,27,28)(H,29,32)(H,34,35)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medicines Company (Leipzig) GmbH
Curated by ChEMBL
| Assay Description
Inhibition of uPA (unknown origin) |
Bioorg Med Chem Lett 19: 1960-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.047
BindingDB Entry DOI: 10.7270/Q2J96681 |
More data for this
Ligand-Target Pair | |
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