Found 201 hits of ki for UniProtKB: P07478 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50131780
((1-Benzhydryl-2-{2-[(5-carbamimidoyl-thiophen-2-yl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1 Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25+/m0/s1 | PDB
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PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
LG Life Sciences Ltd.
Curated by ChEMBL
| Assay Description
In vitro inhibition constant (Ki) against human human trypsin was determined |
J Med Chem 46: 3612-22 (2003)
Article DOI: 10.1021/jm030025j
BindingDB Entry DOI: 10.7270/Q28K79T3 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172845
((2-{2-[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-o...)Show SMILES OC(=O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 Show InChI InChI=1S/C24H26ClN7O3/c25-17-4-5-19(32-15-26-14-29-32)16(11-17)12-21-30-23-20(35-21)7-9-28-24(23)27-8-6-18-3-1-2-10-31(18)13-22(33)34/h4-5,7,9,11,14-15,18H,1-3,6,8,10,12-13H2,(H,27,28)(H,33,34) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172841
((2-{2-[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-o...)Show SMILES CCOC(=O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 Show InChI InChI=1S/C26H30ClN7O3/c1-2-36-24(35)15-33-12-4-3-5-20(33)8-10-29-26-25-22(9-11-30-26)37-23(32-25)14-18-13-19(27)6-7-21(18)34-17-28-16-31-34/h6-7,9,11,13,16-17,20H,2-5,8,10,12,14-15H2,1H3,(H,29,30) | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172829
(CHEMBL198735 | [2-(5-Chloro-2-[1,2,4]triazol-1-yl-...)Show SMILES FC(F)(CNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)C1CCCCN1 Show InChI InChI=1S/C22H22ClF2N7O/c23-15-4-5-16(32-13-26-12-30-32)14(9-15)10-19-31-20-17(33-19)6-8-28-21(20)29-11-22(24,25)18-3-1-2-7-27-18/h4-6,8-9,12-13,18,27H,1-3,7,10-11H2,(H,28,29) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172831
(CHEMBL198978 | [2-(5-Chloro-2-[1,2,4]triazol-1-yl-...)Show SMILES Clc1ccc(c(Cc2nc3c(NCCC4CCCCN4Cc4ccccc4)nccc3o2)c1)-n1cncn1 Show InChI InChI=1S/C29H30ClN7O/c30-23-9-10-25(37-20-31-19-34-37)22(16-23)17-27-35-28-26(38-27)12-14-33-29(28)32-13-11-24-8-4-5-15-36(24)18-21-6-2-1-3-7-21/h1-3,6-7,9-10,12,14,16,19-20,24H,4-5,8,11,13,15,17-18H2,(H,32,33) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172826
(CHEMBL426101 | [2-(5-Chloro-2-[1,2,4]triazol-1-yl-...)Show SMILES Clc1ccc(c(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1)-n1cncn1 Show InChI InChI=1S/C22H24ClN7O/c23-16-4-5-18(30-14-24-13-28-30)15(11-16)12-20-29-21-19(31-20)7-10-27-22(21)26-9-6-17-3-1-2-8-25-17/h4-5,7,10-11,13-14,17,25H,1-3,6,8-9,12H2,(H,26,27) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172832
(2-(2-{2-[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)...)Show SMILES OCCN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 Show InChI InChI=1S/C24H28ClN7O2/c25-18-4-5-20(32-16-26-15-29-32)17(13-18)14-22-30-23-21(34-22)7-9-28-24(23)27-8-6-19-3-1-2-10-31(19)11-12-33/h4-5,7,9,13,15-16,19,33H,1-3,6,8,10-12,14H2,(H,27,28) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172830
(CHEMBL370396 | [2-(5-Chloro-2-[1,2,4]triazol-1-yl-...)Show SMILES FC(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 Show InChI InChI=1S/C24H26ClF2N7O/c25-17-4-5-19(34-15-28-14-31-34)16(11-17)12-22-32-23-20(35-22)7-9-30-24(23)29-8-6-18-3-1-2-10-33(18)13-21(26)27/h4-5,7,9,11,14-15,18,21H,1-3,6,8,10,12-13H2,(H,29,30) | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096100
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H19F4N5O3S/c1-38(36,37)21-8-3-2-7-17(21)14-9-10-19(18(26)12-14)32-24(35)20-13-22(25(27,28)29)33-34(20)16-6-4-5-15(11-16)23(30)31/h2-13H,1H3,(H3,30,31)(H,32,35) | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096111
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H19F3N6O3S/c25-24(26,27)21-13-19(33(32-21)17-5-3-4-15(12-17)22(28)29)23(34)31-16-10-8-14(9-11-16)18-6-1-2-7-20(18)37(30,35)36/h1-13H,(H3,28,29)(H,31,34)(H2,30,35,36) | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096097
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H18F4N6O3S/c25-17-11-13(16-6-1-2-7-20(16)38(31,36)37)8-9-18(17)32-23(35)19-12-21(24(26,27)28)33-34(19)15-5-3-4-14(10-15)22(29)30/h1-12H,(H3,29,30)(H,32,35)(H2,31,36,37) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096110
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)cc1 Show InChI InChI=1S/C25H20F3N5O3S/c1-37(35,36)21-8-3-2-7-19(21)15-9-11-17(12-10-15)31-24(34)20-14-22(25(26,27)28)32-33(20)18-6-4-5-16(13-18)23(29)30/h2-14H,1H3,(H3,29,30)(H,31,34) | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096099
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H21FN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34) | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172847
(CHEMBL194670 | [2-(5-Chloro-2-[1,2,4]triazol-1-yl-...)Show SMILES FC(F)(F)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 Show InChI InChI=1S/C24H25ClF3N7O/c25-17-4-5-19(35-15-29-14-32-35)16(11-17)12-21-33-22-20(36-21)7-9-31-23(22)30-8-6-18-3-1-2-10-34(18)13-24(26,27)28/h4-5,7,9,11,14-15,18H,1-3,6,8,10,12-13H2,(H,30,31) | PDB
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| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096090
(5-Butyl-2-(3-carbamimidoyl-phenyl)-2H-pyrazole-3-c...)Show SMILES CCCCc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H28N6O3S/c1-2-3-8-21-17-24(33(32-21)22-9-6-7-19(16-22)26(28)29)27(34)31-20-14-12-18(13-15-20)23-10-4-5-11-25(23)37(30,35)36/h4-7,9-17H,2-3,8H2,1H3,(H3,28,29)(H,31,34)(H2,30,35,36) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096091
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H23N5O3S/c1-16-14-22(30(29-16)20-7-5-6-18(15-20)24(26)27)25(31)28-19-12-10-17(11-13-19)21-8-3-4-9-23(21)34(2,32)33/h3-15H,1-2H3,(H3,26,27)(H,28,31) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096085
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2Cl)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H21ClN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096095
(2-(3-Carbamimidoyl-phenyl)-2H-pyrazole-3-carboxyli...)Show SMILES NC(=N)c1cccc(c1)-n1nccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H20N6O3S/c24-22(25)16-4-3-5-18(14-16)29-20(12-13-27-29)23(30)28-17-10-8-15(9-11-17)19-6-1-2-7-21(19)33(26,31)32/h1-14H,(H3,24,25)(H,28,30)(H2,26,31,32) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172853
(CHEMBL439678 | [2-(3-Chloro-benzyl)-oxazolo[4,5-c]...)Show InChI InChI=1S/C20H23ClN4O/c21-15-5-3-4-14(12-15)13-18-25-19-17(26-18)8-11-24-20(19)23-10-7-16-6-1-2-9-22-16/h3-5,8,11-12,16,22H,1-2,6-7,9-10,13H2,(H,23,24) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM12751
(1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamo...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-15-13-21(30(29-15)19-6-4-5-17(14-19)23(25)26)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-22(20)34(27,32)33/h2-14H,1H3,(H3,25,26)(H,28,31)(H2,27,32,33) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172853
(CHEMBL439678 | [2-(3-Chloro-benzyl)-oxazolo[4,5-c]...)Show InChI InChI=1S/C20H23ClN4O/c21-15-5-3-4-14(12-15)13-18-25-19-17(26-18)8-11-24-20(19)23-10-7-16-6-1-2-9-22-16/h3-5,8,11-12,16,22H,1-2,6-7,9-10,13H2,(H,23,24) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096098
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2Br)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H21BrN6O3S/c1-14-11-21(31(30-14)17-6-4-5-16(12-17)23(26)27)24(32)29-20-10-9-15(13-19(20)25)18-7-2-3-8-22(18)35(28,33)34/h2-13H,1H3,(H3,26,27)(H,29,32)(H2,28,33,34) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172835
((2,2-Difluoro-2-piperidin-2-yl-ethyl)-[2-(2-tetraz...)Show SMILES FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)C1CCCCN1 Show InChI InChI=1S/C21H22F2N8O/c22-21(23,17-7-3-4-9-24-17)12-26-20-19-16(8-10-25-20)32-18(28-19)11-14-5-1-2-6-15(14)31-13-27-29-30-31/h1-2,5-6,8,10,13,17,24H,3-4,7,9,11-12H2,(H,25,26) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096105
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C22H17F3N8O3S/c23-22(24,25)18-9-16(33(32-18)14-5-3-4-12(8-14)19(26)27)20(34)31-21-29-10-13(11-30-21)15-6-1-2-7-17(15)37(28,35)36/h1-11H,(H3,26,27)(H2,28,35,36)(H,29,30,31,34) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50087533
(3-(3-Carbamimidoyl-phenyl)-isoxazole-4-carboxylic ...)Show SMILES NC(=N)c1cccc(c1)-c1nocc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172848
((2-Piperidin-2-yl-ethyl)-[2-(2-tetrazol-1-yl-benzy...)Show SMILES C(CC1CCCCN1)Nc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12 Show InChI InChI=1S/C21H24N8O/c1-2-7-17(29-14-25-27-28-29)15(5-1)13-19-26-20-18(30-19)9-12-24-21(20)23-11-8-16-6-3-4-10-22-16/h1-2,5,7,9,12,14,16,22H,3-4,6,8,10-11,13H2,(H,23,24) | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096102
(4-Bromo-1-(3-carbamimidoyl-phenyl)-1H-pyrrole-2-ca...)Show SMILES NC(=N)c1cccc(c1)-n1cc(Br)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H20BrN5O3S/c25-17-13-21(30(14-17)19-5-3-4-16(12-19)23(26)27)24(31)29-18-10-8-15(9-11-18)20-6-1-2-7-22(20)34(28,32)33/h1-14H,(H3,26,27)(H,29,31)(H2,28,32,33) | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172827
(CHEMBL198923 | [2-(3-Chloro-benzyl)-oxazolo[4,5-c]...)Show SMILES FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1 Show InChI InChI=1S/C20H21ClF2N4O/c21-14-5-3-4-13(10-14)11-17-27-18-15(28-17)7-9-25-19(18)26-12-20(22,23)16-6-1-2-8-24-16/h3-5,7,9-10,16,24H,1-2,6,8,11-12H2,(H,25,26) | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096094
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2C(F)(F)F)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H20F3N5O/c1-15-13-22(33(32-15)19-6-4-5-17(14-19)23(29)30)24(34)31-18-11-9-16(10-12-18)20-7-2-3-8-21(20)25(26,27)28/h2-14H,1H3,(H3,29,30)(H,31,34) | PDB
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50112086
(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) | PDB
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| 50.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma KG
Curated by ChEMBL
| Assay Description
Inhibitory constant (Ki) was determined against human trypsin |
J Med Chem 45: 1757-66 (2002)
BindingDB Entry DOI: 10.7270/Q2GX49W5 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096104
(2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H19F4N5O3S/c25-18-11-15(17-6-1-2-7-21(17)37(30,35)36)8-9-19(18)31-23(34)20-12-22(24(26,27)28)32-33(20)16-5-3-4-14(10-16)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36) | PDB
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096084
(1-(3-Carbamimidoyl-phenyl)-1H-pyrrole-2-carboxylic...)Show SMILES NC(=N)c1cccc(c1)-n1cccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C24H21N5O3S/c25-23(26)17-5-3-6-19(15-17)29-14-4-8-21(29)24(30)28-18-12-10-16(11-13-18)20-7-1-2-9-22(20)33(27,31)32/h1-15H,(H3,25,26)(H,28,30)(H2,27,31,32) | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096101
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cn2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C23H21N7O3S/c1-14-11-19(30(29-14)17-6-4-5-15(12-17)22(24)25)23(31)28-21-10-9-16(13-27-21)18-7-2-3-8-20(18)34(26,32)33/h2-13H,1H3,(H3,24,25)(H2,26,32,33)(H,27,28,31) | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096108
(2-(3-Carbamimidoyl-phenyl)-5-trifluoromethyl-2H-py...)Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C23H18F3N7O3S/c24-23(25,26)19-11-17(33(32-19)15-5-3-4-13(10-15)21(27)28)22(34)31-20-9-8-14(12-30-20)16-6-1-2-7-18(16)37(29,35)36/h1-12H,(H3,27,28)(H2,29,35,36)(H,30,31,34) | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068493
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)CC)cc1 Show InChI InChI=1S/C28H37N5O4/c1-3-25(29)32-15-12-23(13-16-32)36-22-8-6-20(7-9-22)26(27(34)35-4-2)37-24-10-5-19-11-14-33(28(30)31)18-21(19)17-24/h5-10,17,23,26,29H,3-4,11-16,18H2,1-2H3,(H3,30,31) | PDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50172843
((2,2-Difluoro-2-piperidin-2-yl-ethyl)-[2-(2-[1,2,4...)Show SMILES FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1 Show InChI InChI=1S/C22H23F2N7O/c23-22(24,18-7-3-4-9-26-18)12-28-21-20-17(8-10-27-21)32-19(30-20)11-15-5-1-2-6-16(15)31-14-25-13-29-31/h1-2,5-6,8,10,13-14,18,26H,3-4,7,9,11-12H2,(H,27,28) | PDB
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against trypsin |
Bioorg Med Chem Lett 15: 4411-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.022
BindingDB Entry DOI: 10.7270/Q22Z153P |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096103
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H21N5O/c1-16-14-22(29(28-16)21-9-5-8-19(15-21)23(25)26)24(30)27-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-15H,1H3,(H3,25,26)(H,27,30) | PDB
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096088
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2F)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H20FN5O/c1-15-13-22(30(29-15)19-6-4-5-17(14-19)23(26)27)24(31)28-18-11-9-16(10-12-18)20-7-2-3-8-21(20)25/h2-14H,1H3,(H3,26,27)(H,28,31) | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096113
(2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H21F3N4O3S/c1-36(34,35)22-8-3-2-7-20(22)17-9-11-18(12-10-17)30-24(33)21-14-23(25(26,27)28)31-32(21)19-6-4-5-16(13-19)15-29/h2-14H,15,29H2,1H3,(H,30,33) | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096089
(2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyra...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H20F3N5O3S/c25-24(26,27)22-13-20(32(31-22)18-5-3-4-15(12-18)14-28)23(33)30-17-10-8-16(9-11-17)19-6-1-2-7-21(19)36(29,34)35/h1-13H,14,28H2,(H,30,33)(H2,29,34,35) | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096086
(2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C24H22FN5O3S/c1-15-11-22(30(29-15)18-6-4-5-16(12-18)14-26)24(31)28-21-10-9-17(13-20(21)25)19-7-2-3-8-23(19)34(27,32)33/h2-13H,14,26H2,1H3,(H,28,31)(H2,27,32,33) | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096093
(2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H23FN4O3S/c1-16-12-23(30(29-16)19-7-5-6-17(13-19)15-27)25(31)28-22-11-10-18(14-21(22)26)20-8-3-4-9-24(20)34(2,32)33/h3-14H,15,27H2,1-2H3,(H,28,31) | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50102780
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23) | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Axys Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for inhibition of human trypsin |
J Med Chem 44: 3856-71 (2001)
BindingDB Entry DOI: 10.7270/Q22R3QXR |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096112
(2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-...)Show SMILES Cc1cc(C(=O)Nc2ncc(cn2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C22H20N8O3S/c1-13-9-18(30(29-13)16-6-4-5-14(10-16)20(23)24)21(31)28-22-26-11-15(12-27-22)17-7-2-3-8-19(17)34(25,32)33/h2-12H,1H3,(H3,23,24)(H2,25,32,33)(H,26,27,28,31) | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068485
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-3-41-32(39)30(43-29-13-4-22-14-17-38(33(35)36)21-25(22)20-29)23-5-11-27(12-6-23)42-28-15-18-37(19-16-28)31(34)24-7-9-26(40-2)10-8-24/h4-13,20,28,30,34H,3,14-19,21H2,1-2H3,(H3,35,36) | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068490
(CHEMBL146940 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(N)=N)cc1 Show InChI InChI=1S/C26H34N6O4/c1-2-34-24(33)23(36-22-8-3-17-9-12-32(26(29)30)16-19(17)15-22)18-4-6-20(7-5-18)35-21-10-13-31(14-11-21)25(27)28/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,27,28)(H3,29,30) | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068487
(CHEMBL148357 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32) | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50068501
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)Show SMILES COc1ccc(cc1)C(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C31H35N5O5/c1-39-24-7-5-22(6-8-24)29(32)35-16-13-26(14-17-35)40-25-9-3-21(4-10-25)28(30(37)38)41-27-11-2-20-12-15-36(31(33)34)19-23(20)18-27/h2-11,18,26,28,32H,12-17,19H2,1H3,(H3,33,34)(H,37,38) | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH
Curated by ChEMBL
| Assay Description
The inhibition constant against human trypsin |
J Med Chem 41: 4983-94 (1999)
Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112 |
More data for this
Ligand-Target Pair | |
Serine protease 1/Trypsin-2
(Homo sapiens (Human)) | BDBM50096109
(2-(3-Aminomethyl-phenyl)-5-methyl-2H-pyrazole-3-ca...)Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(C)(=O)=O)n(n1)-c1cccc(CN)c1 Show InChI InChI=1S/C25H24N4O3S/c1-17-14-23(29(28-17)21-7-5-6-18(15-21)16-26)25(30)27-20-12-10-19(11-13-20)22-8-3-4-9-24(22)33(2,31)32/h3-15H,16,26H2,1-2H3,(H,27,30) | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
In vitro activity against human trypsin. |
J Med Chem 44: 566-78 (2001)
BindingDB Entry DOI: 10.7270/Q2RF5VQK |
More data for this
Ligand-Target Pair | |
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