Found 24 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 |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50069190
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50133525
(CHEMBL115643 | N-((trans-4-aminocyclohexyl)methyl)...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:24.25,wD:27.29,(9.06,-2.5,;7.71,-3.25,;6.36,-2.48,;5.05,-3.25,;5.05,-4.76,;3.7,-5.53,;2.38,-4.76,;2,-6.25,;2.76,-3.25,;1.04,-4.02,;1.01,-2.48,;-.34,-1.71,;-.37,-.19,;.96,.63,;2.31,-.14,;2.32,-1.68,;6.36,-5.56,;6.36,-7.1,;7.71,-4.79,;9.02,-5.58,;10.36,-4.82,;10.37,-3.28,;11.69,-5.59,;13.03,-4.82,;14.37,-5.61,;15.7,-4.84,;17.03,-5.62,;17.01,-7.16,;18.35,-7.97,;15.66,-7.93,;14.35,-7.15,)| Show InChI InChI=1S/C22H30N4O4S/c1-16-7-12-20(25-31(29,30)15-18-5-3-2-4-6-18)22(28)26(16)14-21(27)24-13-17-8-10-19(23)11-9-17/h2-7,12,17,19,25H,8-11,13-15,23H2,1H3,(H,24,27)/t17-,19- | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289529
(CHEMBL3084745)Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NC[C@H]1CC[C@H](N)CC1 |r,wU:21.22,wD:24.26,2.2,(1.75,-2.49,;3.1,-3.26,;4.43,-2.49,;4.43,-.95,;3.08,-.18,;1.75,-.95,;.42,-.18,;.42,1.37,;1.75,2.15,;3.08,1.37,;5.76,-3.26,;5.76,-4.78,;7.09,-2.47,;7.26,-.95,;8.77,-.62,;9.54,-1.95,;8.5,-3.1,;8.83,-4.61,;10.3,-5.07,;7.68,-5.63,;8.01,-7.14,;9.49,-7.62,;10.6,-6.59,;12.08,-7.05,;12.41,-8.56,;13.88,-9.03,;11.26,-9.6,;9.8,-9.12,)| Show InChI InChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17-,18-,19-,20?/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289528
(CHEMBL36397 | N-(1-Carbamimidoyl-piperidin-4-ylmet...)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NCC2CCN(CC2)C(N)=N)c1=O Show InChI InChI=1S/C22H30N6O4S/c1-15-3-6-18(7-4-15)33(31,32)26-19-8-5-16(2)28(21(19)30)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h3-8,17,26H,9-14H2,1-2H3,(H3,23,24)(H,25,29) | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50069193
(CHEMBL424545 | N-(4-Amino-cyclohexylmethyl)-2-(6-m...)Show SMILES Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:22.23,wD:25.27,(10.88,-.69,;9.55,-1.46,;8.19,-.69,;6.86,-1.46,;6.86,-3,;5.53,-3.77,;4.19,-3,;4.19,-1.46,;2.86,-.71,;1.55,-1.48,;.22,-.73,;.19,.8,;1.5,1.58,;2.84,.83,;8.19,-3.77,;8.21,-5.32,;9.55,-3,;10.88,-3.77,;10.88,-5.32,;12.21,-6.09,;9.55,-6.09,;9.55,-7.63,;10.88,-8.4,;12.21,-7.63,;13.55,-8.4,;13.55,-9.95,;14.88,-10.72,;12.21,-10.72,;10.88,-9.95,)| Show InChI InChI=1S/C23H32N4O2/c1-17-7-12-21(25-14-13-18-5-3-2-4-6-18)23(29)27(17)16-22(28)26-15-19-8-10-20(24)11-9-19/h2-7,12,19-20,25H,8-11,13-16,24H2,1H3,(H,26,28)/t19-,20- | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289532
((1-{[(1-Carbamimidoyl-piperidin-4-ylmethyl)-carbam...)Show SMILES Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C23H30N6O4/c1-16-7-8-19(27-23(32)33-15-18-5-3-2-4-6-18)21(31)29(16)14-20(30)26-13-17-9-11-28(12-10-17)22(24)25/h2-8,17H,9-15H2,1H3,(H3,24,25)(H,26,30)(H,27,32) | PDB
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289531
(CHEMBL290947 | N-(1-{[(1-Carbamimidoyl-piperidin-4...)Show SMILES Cc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C24H32N6O3/c1-17-7-9-20(28-21(31)10-8-18-5-3-2-4-6-18)23(33)30(17)16-22(32)27-15-19-11-13-29(14-12-19)24(25)26/h2-7,9,19H,8,10-16H2,1H3,(H3,25,26)(H,27,32)(H,28,31) | PDB
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| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289528
(CHEMBL36397 | N-(1-Carbamimidoyl-piperidin-4-ylmet...)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NCC2CCN(CC2)C(N)=N)c1=O Show InChI InChI=1S/C22H30N6O4S/c1-15-3-6-18(7-4-15)33(31,32)26-19-8-5-16(2)28(21(19)30)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h3-8,17,26H,9-14H2,1-2H3,(H3,23,24)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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| Article
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289526
(CHEMBL37035 | N-(1-{[(1-Carbamimidoyl-piperidin-4-...)Show SMILES Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C30H36N6O3/c1-21-12-13-26(29(39)36(21)20-28(38)33-19-22-14-16-35(17-15-22)30(31)32)34-27(37)18-25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,25H,14-20H2,1H3,(H3,31,32)(H,33,38)(H,34,37) | PDB
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| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289532
((1-{[(1-Carbamimidoyl-piperidin-4-ylmethyl)-carbam...)Show SMILES Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C23H30N6O4/c1-16-7-8-19(27-23(32)33-15-18-5-3-2-4-6-18)21(31)29(16)14-20(30)26-13-17-9-11-28(12-10-17)22(24)25/h2-8,17H,9-15H2,1H3,(H3,24,25)(H,26,30)(H,27,32) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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| Article
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50069190
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
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Patents
Similars
| Article
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289533
(CHEMBL34306 | N-(1-{[(1-Carbamimidoyl-piperidin-4-...)Show SMILES Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H28N6O3/c1-15-7-8-18(26-20(30)17-5-3-2-4-6-17)21(31)28(15)14-19(29)25-13-16-9-11-27(12-10-16)22(23)24/h2-8,16H,9-14H2,1H3,(H3,23,24)(H,25,29)(H,26,30) | PDB
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| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289526
(CHEMBL37035 | N-(1-{[(1-Carbamimidoyl-piperidin-4-...)Show SMILES Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C30H36N6O3/c1-21-12-13-26(29(39)36(21)20-28(38)33-19-22-14-16-35(17-15-22)30(31)32)34-27(37)18-25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,25H,14-20H2,1H3,(H3,31,32)(H,33,38)(H,34,37) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289531
(CHEMBL290947 | N-(1-{[(1-Carbamimidoyl-piperidin-4...)Show SMILES Cc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C24H32N6O3/c1-17-7-9-20(28-21(31)10-8-18-5-3-2-4-6-18)23(33)30(17)16-22(32)27-15-19-11-13-29(14-12-19)24(25)26/h2-7,9,19H,8,10-16H2,1H3,(H3,25,26)(H,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289533
(CHEMBL34306 | N-(1-{[(1-Carbamimidoyl-piperidin-4-...)Show SMILES Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H28N6O3/c1-15-7-8-18(26-20(30)17-5-3-2-4-6-17)21(31)28(15)14-19(29)25-13-16-9-11-27(12-10-16)22(23)24/h2-8,16H,9-14H2,1H3,(H3,23,24)(H,25,29)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
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Similars
| Article
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289530
(CHEMBL3085115 | N-(4-Amino-cyclohexylmethyl)-2-[6-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NC[C@H]2CC[C@H](N)CC2)c1=O |wU:22.22,wD:25.26,(-7.05,-12.41,;-5.72,-11.62,;-5.72,-10.08,;-4.37,-9.31,;-3.04,-10.09,;-3.07,-11.62,;-4.37,-12.4,;-1.71,-9.31,;-.62,-8.22,;-2.8,-8.22,;-.38,-10.09,;.94,-9.31,;.94,-7.77,;2.27,-7,;3.63,-7.77,;4.95,-6.98,;3.63,-9.31,;4.95,-10.09,;4.95,-11.62,;6.28,-12.39,;3.63,-12.4,;4.02,-13.89,;5.5,-14.28,;6.59,-13.19,;8.07,-13.61,;8.46,-15.1,;9.95,-15.5,;7.37,-16.18,;5.89,-15.78,;2.27,-10.09,;2.27,-11.62,)| Show InChI InChI=1S/C22H30N4O4S/c1-15-3-10-19(11-4-15)31(29,30)25-20-12-5-16(2)26(22(20)28)14-21(27)24-13-17-6-8-18(23)9-7-17/h3-5,10-12,17-18,25H,6-9,13-14,23H2,1-2H3,(H,24,27)/t17-,18- | PDB
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| Article
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human thrombin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289530
(CHEMBL3085115 | N-(4-Amino-cyclohexylmethyl)-2-[6-...)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(C)n(CC(=O)NC[C@H]2CC[C@H](N)CC2)c1=O |wU:22.22,wD:25.26,(-7.05,-12.41,;-5.72,-11.62,;-5.72,-10.08,;-4.37,-9.31,;-3.04,-10.09,;-3.07,-11.62,;-4.37,-12.4,;-1.71,-9.31,;-.62,-8.22,;-2.8,-8.22,;-.38,-10.09,;.94,-9.31,;.94,-7.77,;2.27,-7,;3.63,-7.77,;4.95,-6.98,;3.63,-9.31,;4.95,-10.09,;4.95,-11.62,;6.28,-12.39,;3.63,-12.4,;4.02,-13.89,;5.5,-14.28,;6.59,-13.19,;8.07,-13.61,;8.46,-15.1,;9.95,-15.5,;7.37,-16.18,;5.89,-15.78,;2.27,-10.09,;2.27,-11.62,)| Show InChI InChI=1S/C22H30N4O4S/c1-15-3-10-19(11-4-15)31(29,30)25-20-12-5-16(2)26(22(20)28)14-21(27)24-13-17-6-8-18(23)9-7-17/h3-5,10-12,17-18,25H,6-9,13-14,23H2,1-2H3,(H,24,27)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50069193
(CHEMBL424545 | N-(4-Amino-cyclohexylmethyl)-2-(6-m...)Show SMILES Cc1ccc(NCCc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:22.23,wD:25.27,(10.88,-.69,;9.55,-1.46,;8.19,-.69,;6.86,-1.46,;6.86,-3,;5.53,-3.77,;4.19,-3,;4.19,-1.46,;2.86,-.71,;1.55,-1.48,;.22,-.73,;.19,.8,;1.5,1.58,;2.84,.83,;8.19,-3.77,;8.21,-5.32,;9.55,-3,;10.88,-3.77,;10.88,-5.32,;12.21,-6.09,;9.55,-6.09,;9.55,-7.63,;10.88,-8.4,;12.21,-7.63,;13.55,-8.4,;13.55,-9.95,;14.88,-10.72,;12.21,-10.72,;10.88,-9.95,)| Show InChI InChI=1S/C23H32N4O2/c1-17-7-12-21(25-14-13-18-5-3-2-4-6-18)23(29)27(17)16-22(28)26-15-19-8-10-20(24)11-9-19/h2-7,12,19-20,25H,8-11,13-16,24H2,1H3,(H,26,28)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50133525
(CHEMBL115643 | N-((trans-4-aminocyclohexyl)methyl)...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@H]1CC[C@H](N)CC1 |wU:24.25,wD:27.29,(9.06,-2.5,;7.71,-3.25,;6.36,-2.48,;5.05,-3.25,;5.05,-4.76,;3.7,-5.53,;2.38,-4.76,;2,-6.25,;2.76,-3.25,;1.04,-4.02,;1.01,-2.48,;-.34,-1.71,;-.37,-.19,;.96,.63,;2.31,-.14,;2.32,-1.68,;6.36,-5.56,;6.36,-7.1,;7.71,-4.79,;9.02,-5.58,;10.36,-4.82,;10.37,-3.28,;11.69,-5.59,;13.03,-4.82,;14.37,-5.61,;15.7,-4.84,;17.03,-5.62,;17.01,-7.16,;18.35,-7.97,;15.66,-7.93,;14.35,-7.15,)| Show InChI InChI=1S/C22H30N4O4S/c1-16-7-12-20(25-31(29,30)15-18-5-3-2-4-6-18)22(28)26(16)14-21(27)24-13-17-8-10-19(23)11-9-17/h2-7,12,17,19,25H,8-11,13-15,23H2,1H3,(H,24,27)/t17-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Vitamin K-dependent protein C
(Homo sapiens (Human)) | BDBM50069190
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against serine protease Activated protein C |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50069190
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against serine protease plasma kallikrein |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Rattus norvegicus) | BDBM50069190
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against serine protease plasmin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50069190
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against serine protease plasma chymotrypsin |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50069190
(CHEMBL287614 | N-(1-Carbamimidoyl-piperidin-4-ylme...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCN(CC1)C(N)=N Show InChI InChI=1S/C22H30N6O4S/c1-16-7-8-19(26-33(31,32)15-18-5-3-2-4-6-18)21(30)28(16)14-20(29)25-13-17-9-11-27(12-10-17)22(23)24/h2-8,17,26H,9-15H2,1H3,(H3,23,24)(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against serine protease Tissue type plasminogen activator |
Bioorg Med Chem Lett 7: 1497-1500 (1997)
Article DOI: 10.1016/S0960-894X(97)00257-6
BindingDB Entry DOI: 10.7270/Q2P55P15 |
More data for this
Ligand-Target Pair | |
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