Found 43 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)) | BDBM50124076
((S)-1-((R)-3-Cyclohexyl-1-oxo-2-phenylmethanesulfo...)Show SMILES O=C(NCC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c35-28(30-18-23-13-14-25-24(16-23)19-31-32-25)27-12-7-15-34(27)29(36)26(17-21-8-3-1-4-9-21)33-39(37,38)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,33H,1,3-4,7-9,12-18,20H2,(H,30,35)(H,31,32)/t23?,26-,27+/m1/s1 | PDB
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PC sid
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124071
(((R)-1-Cyclohexylmethyl-2-oxo-2-{(S)-2-[(4,5,6,7-t...)Show SMILES OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H37N5O4/c30-22(31)15-25-20(12-16-5-2-1-3-6-16)24(33)29-10-4-7-21(29)23(32)26-13-17-8-9-19-18(11-17)14-27-28-19/h14,16-17,20-21,25H,1-13,15H2,(H,26,32)(H,27,28)(H,30,31)/t17?,20-,21+/m1/s1 | PDB
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PC sid
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124073
((S)-1-((R)-2-Amino-1-oxo-3,3-diphenyl-propyl)-pyrr...)Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C28H33N5O2/c29-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-15-7-12-24(33)27(34)30-17-19-13-14-23-22(16-19)18-31-32-23/h1-6,8-11,18-19,24-26H,7,12-17,29H2,(H,30,34)(H,31,32)/t19?,24-,26+/m0/s1 | PDB
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| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124083
(((R)-1-Benzhydryl-2-oxo-2-{(S)-2-[(4,5,6,7-tetrahy...)Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C33H41N5O4/c1-33(2,3)42-32(41)36-29(28(23-11-6-4-7-12-23)24-13-8-5-9-14-24)31(40)38-18-10-15-27(38)30(39)34-20-22-16-17-26-25(19-22)21-35-37-26/h4-9,11-14,21-22,27-29H,10,15-20H2,1-3H3,(H,34,39)(H,35,37)(H,36,41)/t22?,27-,29+/m0/s1 | PDB
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| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124075
((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-1-oxo-p...)Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C22H27Cl2N5O2/c23-16-5-3-13(9-17(16)24)10-18(25)22(31)29-7-1-2-20(29)21(30)26-11-14-4-6-19-15(8-14)12-27-28-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,25H2,(H,26,30)(H,27,28)/t14?,18-,20+/m1/s1 | PDB
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| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124077
(((R)-1-(3,4-Dichloro-benzyl)-2-oxo-2-{(S)-2-[(4,5,...)Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C27H35Cl2N5O4/c1-27(2,3)38-26(37)32-22(13-16-6-8-19(28)20(29)12-16)25(36)34-10-4-5-23(34)24(35)30-14-17-7-9-21-18(11-17)15-31-33-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,30,35)(H,31,33)(H,32,37)/t17?,22-,23+/m1/s1 | PDB
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| 3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124072
(((R)-2-{(S)-2-[(2-Amino-5,6,7,8-tetrahydro-quinazo...)Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C34H42N6O4/c1-34(2,3)44-33(43)39-29(28(23-11-6-4-7-12-23)24-13-8-5-9-14-24)31(42)40-18-10-15-27(40)30(41)36-20-22-16-17-26-25(19-22)21-37-32(35)38-26/h4-9,11-14,21-22,27-29H,10,15-20H2,1-3H3,(H,36,41)(H,39,43)(H2,35,37,38)/t22?,27-,29+/m0/s1 | PDB
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| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124078
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H39N5O4S/c34-27(30-23-13-14-24-22(17-23)18-29-31-24)26-12-7-15-33(26)28(35)25(16-20-8-3-1-4-9-20)32-38(36,37)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,32H,1,3-4,7-9,12-17,19H2,(H,29,31)(H,30,34)/t23?,25-,26+/m1/s1 | PDB
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| 5.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124074
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Cn1cc2CC(CCc2n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c1-33-19-23-18-24(14-15-25(23)31-33)30-28(35)27-13-8-16-34(27)29(36)26(17-21-9-4-2-5-10-21)32-39(37,38)20-22-11-6-3-7-12-22/h3,6-7,11-12,19,21,24,26-27,32H,2,4-5,8-10,13-18,20H2,1H3,(H,30,35)/t24?,26-,27+/m1/s1 | PDB
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| 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124084
((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...)Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C29H34N6O2/c30-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(37)35-15-7-12-24(35)27(36)32-17-19-13-14-23-22(16-19)18-33-29(31)34-23/h1-6,8-11,18-19,24-26H,7,12-17,30H2,(H,32,36)(H2,31,33,34)/t19?,24-,26+/m0/s1 | PDB
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| 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124071
(((R)-1-Cyclohexylmethyl-2-oxo-2-{(S)-2-[(4,5,6,7-t...)Show SMILES OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H37N5O4/c30-22(31)15-25-20(12-16-5-2-1-3-6-16)24(33)29-10-4-7-21(29)23(32)26-13-17-8-9-19-18(11-17)14-27-28-19/h14,16-17,20-21,25H,1-13,15H2,(H,26,32)(H,27,28)(H,30,31)/t17?,20-,21+/m1/s1 | PDB
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PC sid
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| PubMed
| 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124085
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NC1CCc2c[nH]cc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H40N4O4S/c34-28(31-25-14-13-23-18-30-19-24(23)17-25)27-12-7-15-33(27)29(35)26(16-21-8-3-1-4-9-21)32-38(36,37)20-22-10-5-2-6-11-22/h2,5-6,10-11,18-19,21,25-27,30,32H,1,3-4,7-9,12-17,20H2,(H,31,34)/t25?,26-,27+/m1/s1 | PDB
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| 2.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124080
((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-propion...)Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C23H28Cl2N6O2/c24-16-5-3-13(9-17(16)25)10-18(26)22(33)31-7-1-2-20(31)21(32)28-11-14-4-6-19-15(8-14)12-29-23(27)30-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,26H2,(H,28,32)(H2,27,29,30)/t14?,18-,20+/m1/s1 | PDB
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| >3.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124079
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Nc1ncc2CC(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc3ccccc3)CCc2n1 Show InChI InChI=1S/C30H42N6O4S/c31-30-33-19-24-16-23(13-14-25(24)34-30)18-32-28(37)27-12-7-15-36(27)29(38)26(17-21-8-3-1-4-9-21)35-41(39,40)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,35H,1,3-4,7-9,12-18,20H2,(H,32,37)(H2,31,33,34)/t23?,26-,27+/m1/s1 | PDB
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| >3.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124082
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Nc1ncc2CC(CCc2n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H40N6O4S/c30-29-31-18-22-17-23(13-14-24(22)33-29)32-27(36)26-12-7-15-35(26)28(37)25(16-20-8-3-1-4-9-20)34-40(38,39)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,34H,1,3-4,7-9,12-17,19H2,(H,32,36)(H2,30,31,33)/t23?,25-,26+/m1/s1 | PDB
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| >3.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124081
(CHEMBL164221 | [(R)-2-{(S)-2-[(2-Amino-5,6,7,8-tet...)Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C28H36Cl2N6O4/c1-28(2,3)40-27(39)35-22(13-16-6-8-19(29)20(30)12-16)25(38)36-10-4-5-23(36)24(37)32-14-17-7-9-21-18(11-17)15-33-26(31)34-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,32,37)(H,35,39)(H2,31,33,34)/t17?,22-,23+/m1/s1 | PDB
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| >3.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124084
((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...)Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C29H34N6O2/c30-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(37)35-15-7-12-24(35)27(36)32-17-19-13-14-23-22(16-19)18-33-29(31)34-23/h1-6,8-11,18-19,24-26H,7,12-17,30H2,(H,32,36)(H2,31,33,34)/t19?,24-,26+/m0/s1 | PDB
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| 5.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124075
((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-1-oxo-p...)Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C22H27Cl2N5O2/c23-16-5-3-13(9-17(16)24)10-18(25)22(31)29-7-1-2-20(29)21(30)26-11-14-4-6-19-15(8-14)12-27-28-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,25H2,(H,26,30)(H,27,28)/t14?,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124076
((S)-1-((R)-3-Cyclohexyl-1-oxo-2-phenylmethanesulfo...)Show SMILES O=C(NCC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c35-28(30-18-23-13-14-25-24(16-23)19-31-32-25)27-12-7-15-34(27)29(36)26(17-21-8-3-1-4-9-21)33-39(37,38)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,33H,1,3-4,7-9,12-18,20H2,(H,30,35)(H,31,32)/t23?,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124077
(((R)-1-(3,4-Dichloro-benzyl)-2-oxo-2-{(S)-2-[(4,5,...)Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C27H35Cl2N5O4/c1-27(2,3)38-26(37)32-22(13-16-6-8-19(28)20(29)12-16)25(36)34-10-4-5-23(34)24(35)30-14-17-7-9-21-18(11-17)15-31-33-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,30,35)(H,31,33)(H,32,37)/t17?,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124081
(CHEMBL164221 | [(R)-2-{(S)-2-[(2-Amino-5,6,7,8-tet...)Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C28H36Cl2N6O4/c1-28(2,3)40-27(39)35-22(13-16-6-8-19(29)20(30)12-16)25(38)36-10-4-5-23(36)24(37)32-14-17-7-9-21-18(11-17)15-33-26(31)34-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,32,37)(H,35,39)(H2,31,33,34)/t17?,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124082
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Nc1ncc2CC(CCc2n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H40N6O4S/c30-29-31-18-22-17-23(13-14-24(22)33-29)32-27(36)26-12-7-15-35(26)28(37)25(16-20-8-3-1-4-9-20)34-40(38,39)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,34H,1,3-4,7-9,12-17,19H2,(H,32,36)(H2,30,31,33)/t23?,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124079
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Nc1ncc2CC(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc3ccccc3)CCc2n1 Show InChI InChI=1S/C30H42N6O4S/c31-30-33-19-24-16-23(13-14-25(24)34-30)18-32-28(37)27-12-7-15-36(27)29(38)26(17-21-8-3-1-4-9-21)35-41(39,40)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,35H,1,3-4,7-9,12-18,20H2,(H,32,37)(H2,31,33,34)/t23?,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124080
((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-propion...)Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C23H28Cl2N6O2/c24-16-5-3-13(9-17(16)25)10-18(26)22(33)31-7-1-2-20(31)21(32)28-11-14-4-6-19-15(8-14)12-29-23(27)30-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,26H2,(H,28,32)(H2,27,29,30)/t14?,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124078
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H39N5O4S/c34-27(30-23-13-14-24-22(17-23)18-29-31-24)26-12-7-15-33(26)28(35)25(16-20-8-3-1-4-9-20)32-38(36,37)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,32H,1,3-4,7-9,12-17,19H2,(H,29,31)(H,30,34)/t23?,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >6.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124076
((S)-1-((R)-3-Cyclohexyl-1-oxo-2-phenylmethanesulfo...)Show SMILES O=C(NCC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c35-28(30-18-23-13-14-25-24(16-23)19-31-32-25)27-12-7-15-34(27)29(36)26(17-21-8-3-1-4-9-21)33-39(37,38)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,33H,1,3-4,7-9,12-18,20H2,(H,30,35)(H,31,32)/t23?,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124075
((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-1-oxo-p...)Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C22H27Cl2N5O2/c23-16-5-3-13(9-17(16)24)10-18(25)22(31)29-7-1-2-20(29)21(30)26-11-14-4-6-19-15(8-14)12-27-28-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,25H2,(H,26,30)(H,27,28)/t14?,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124081
(CHEMBL164221 | [(R)-2-{(S)-2-[(2-Amino-5,6,7,8-tet...)Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C28H36Cl2N6O4/c1-28(2,3)40-27(39)35-22(13-16-6-8-19(29)20(30)12-16)25(38)36-10-4-5-23(36)24(37)32-14-17-7-9-21-18(11-17)15-33-26(31)34-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,32,37)(H,35,39)(H2,31,33,34)/t17?,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124078
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NC1CCc2[nH]ncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C28H39N5O4S/c34-27(30-23-13-14-24-22(17-23)18-29-31-24)26-12-7-15-33(26)28(35)25(16-20-8-3-1-4-9-20)32-38(36,37)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,32H,1,3-4,7-9,12-17,19H2,(H,29,31)(H,30,34)/t23?,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124082
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Nc1ncc2CC(CCc2n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H40N6O4S/c30-29-31-18-22-17-23(13-14-24(22)33-29)32-27(36)26-12-7-15-35(26)28(37)25(16-20-8-3-1-4-9-20)34-40(38,39)19-21-10-5-2-6-11-21/h2,5-6,10-11,18,20,23,25-26,34H,1,3-4,7-9,12-17,19H2,(H,32,36)(H2,30,31,33)/t23?,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124077
(((R)-1-(3,4-Dichloro-benzyl)-2-oxo-2-{(S)-2-[(4,5,...)Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C27H35Cl2N5O4/c1-27(2,3)38-26(37)32-22(13-16-6-8-19(28)20(29)12-16)25(36)34-10-4-5-23(34)24(35)30-14-17-7-9-21-18(11-17)15-31-33-21/h6,8,12,15,17,22-23H,4-5,7,9-11,13-14H2,1-3H3,(H,30,35)(H,31,33)(H,32,37)/t17?,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124079
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Nc1ncc2CC(CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC3CCCCC3)NS(=O)(=O)Cc3ccccc3)CCc2n1 Show InChI InChI=1S/C30H42N6O4S/c31-30-33-19-24-16-23(13-14-25(24)34-30)18-32-28(37)27-12-7-15-36(27)29(38)26(17-21-8-3-1-4-9-21)35-41(39,40)20-22-10-5-2-6-11-22/h2,5-6,10-11,19,21,23,26-27,35H,1,3-4,7-9,12-18,20H2,(H,32,37)(H2,31,33,34)/t23?,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124080
((S)-1-[(R)-2-Amino-3-(3,4-dichloro-phenyl)-propion...)Show SMILES N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C23H28Cl2N6O2/c24-16-5-3-13(9-17(16)25)10-18(26)22(33)31-7-1-2-20(31)21(32)28-11-14-4-6-19-15(8-14)12-29-23(27)30-19/h3,5,9,12,14,18,20H,1-2,4,6-8,10-11,26H2,(H,28,32)(H2,27,29,30)/t14?,18-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124073
((S)-1-((R)-2-Amino-1-oxo-3,3-diphenyl-propyl)-pyrr...)Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C28H33N5O2/c29-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-15-7-12-24(33)27(34)30-17-19-13-14-23-22(16-19)18-31-32-23/h1-6,8-11,18-19,24-26H,7,12-17,29H2,(H,30,34)(H,31,32)/t19?,24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 8.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124071
(((R)-1-Cyclohexylmethyl-2-oxo-2-{(S)-2-[(4,5,6,7-t...)Show SMILES OC(=O)CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H37N5O4/c30-22(31)15-25-20(12-16-5-2-1-3-6-16)24(33)29-10-4-7-21(29)23(32)26-13-17-8-9-19-18(11-17)14-27-28-19/h14,16-17,20-21,25H,1-13,15H2,(H,26,32)(H,27,28)(H,30,31)/t17?,20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 8.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124083
(((R)-1-Benzhydryl-2-oxo-2-{(S)-2-[(4,5,6,7-tetrahy...)Show SMILES CC(C)(C)OC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C33H41N5O4/c1-33(2,3)42-32(41)36-29(28(23-11-6-4-7-12-23)24-13-8-5-9-14-24)31(40)38-18-10-15-27(38)30(39)34-20-22-16-17-26-25(19-22)21-35-37-26/h4-9,11-14,21-22,27-29H,10,15-20H2,1-3H3,(H,34,39)(H,35,37)(H,36,41)/t22?,27-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 8.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50124070
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NCC1CCc2ncncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C30H41N5O4S/c36-29(32-18-24-13-14-26-25(16-24)19-31-21-33-26)28-12-7-15-35(28)30(37)27(17-22-8-3-1-4-9-22)34-40(38,39)20-23-10-5-2-6-11-23/h2,5-6,10-11,19,21-22,24,27-28,34H,1,3-4,7-9,12-18,20H2,(H,32,36)/t24?,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity of the compound against Factor Xa |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124073
((S)-1-((R)-2-Amino-1-oxo-3,3-diphenyl-propyl)-pyrr...)Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C28H33N5O2/c29-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(35)33-15-7-12-24(33)27(34)30-17-19-13-14-23-22(16-19)18-31-32-23/h1-6,8-11,18-19,24-26H,7,12-17,29H2,(H,30,34)(H,31,32)/t19?,24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124070
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NCC1CCc2ncncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C30H41N5O4S/c36-29(32-18-24-13-14-26-25(16-24)19-31-21-33-26)28-12-7-15-35(28)30(37)27(17-22-8-3-1-4-9-22)34-40(38,39)20-23-10-5-2-6-11-23/h2,5-6,10-11,19,21-22,24,27-28,34H,1,3-4,7-9,12-18,20H2,(H,32,36)/t24?,27-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.89E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Thrombin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124070
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NCC1CCc2ncncc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C30H41N5O4S/c36-29(32-18-24-13-14-26-25(16-24)19-31-21-33-26)28-12-7-15-35(28)30(37)27(17-22-8-3-1-4-9-22)34-40(38,39)20-23-10-5-2-6-11-23/h2,5-6,10-11,19,21-22,24,27-28,34H,1,3-4,7-9,12-18,20H2,(H,32,36)/t24?,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124084
((S)-1-((R)-2-Amino-3,3-diphenyl-propionyl)-pyrroli...)Show SMILES N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCc2nc(N)ncc2C1 Show InChI InChI=1S/C29H34N6O2/c30-26(25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)28(37)35-15-7-12-24(35)27(36)32-17-19-13-14-23-22(16-19)18-33-29(31)34-23/h1-6,8-11,18-19,24-26H,7,12-17,30H2,(H,32,36)(H2,31,33,34)/t19?,24-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124085
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES O=C(NC1CCc2c[nH]cc2C1)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H40N4O4S/c34-28(31-25-14-13-23-18-30-19-24(23)17-25)27-12-7-15-33(27)29(35)26(16-21-8-3-1-4-9-21)32-38(36,37)20-22-10-5-2-6-11-22/h2,5-6,10-11,18-19,21,25-27,30,32H,1,3-4,7-9,12-17,20H2,(H,31,34)/t25?,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 4.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124074
((S)-1-((R)-3-Cyclohexyl-2-phenylmethanesulfonylami...)Show SMILES Cn1cc2CC(CCc2n1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C29H41N5O4S/c1-33-19-23-18-24(14-15-25(23)31-33)30-28(35)27-13-8-16-34(27)29(36)26(17-21-9-4-2-5-10-21)32-39(37,38)20-22-11-6-3-7-12-22/h3,6-7,11-12,19,21,24,26-27,32H,2,4-5,8-10,13-18,20H2,1H3,(H,30,35)/t24?,26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Trypsin |
Bioorg Med Chem Lett 13: 789-94 (2003)
BindingDB Entry DOI: 10.7270/Q2F47NH8 |
More data for this
Ligand-Target Pair | |
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