Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50013094 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)) | BDBM50126493
(2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126483
(2-[3-Amino-4-(cyclobutylmethyl-sulfamoyl)-6-methyl...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CCC1 Show InChI InChI=1S/C20H28N6O4S/c1-12-8-16(31(29,30)24-9-14-4-3-5-14)19(22)20(28)26(12)11-18(27)23-10-15-6-7-17(21)25-13(15)2/h6-8,14,24H,3-5,9-11,22H2,1-2H3,(H2,21,25)(H,23,27) | PDB
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| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126495
(2-(3-Amino-4-cyclopentylmethanesulfonyl-6-methyl-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-9-17(31(29,30)12-15-5-3-4-6-15)20(23)21(28)26(13)11-19(27)24-10-16-7-8-18(22)25-14(16)2/h7-9,15H,3-6,10-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126498
(2-(3-Amino-6-methyl-2-oxo-4-phenylmethanesulfonyl-...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O4S/c1-14-10-18(32(30,31)13-16-6-4-3-5-7-16)21(24)22(29)27(14)12-20(28)25-11-17-8-9-19(23)26-15(17)2/h3-10H,11-13,24H2,1-2H3,(H2,23,26)(H,25,28) | 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
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126499
(2-[3-Amino-6-methyl-2-oxo-4-(thiophene-2-sulfonyl)...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C19H21N5O4S2/c1-11-8-14(30(27,28)17-4-3-7-29-17)18(21)19(26)24(11)10-16(25)22-9-13-5-6-15(20)23-12(13)2/h3-8H,9-10,21H2,1-2H3,(H2,20,23)(H,22,25) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126494
(2-(3-Amino-4-cyclobutylsulfamoyl-6-methyl-2-oxo-2H...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NC1CCC1 Show InChI InChI=1S/C19H26N6O4S/c1-11-8-15(30(28,29)24-14-4-3-5-14)18(21)19(27)25(11)10-17(26)22-9-13-6-7-16(20)23-12(13)2/h6-8,14,24H,3-5,9-10,21H2,1-2H3,(H2,20,23)(H,22,26) | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126490
(2-(3-Amino-4-cyclopropylmethanesulfonyl-6-methyl-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CC1 Show InChI InChI=1S/C19H25N5O4S/c1-11-7-15(29(27,28)10-13-3-4-13)18(21)19(26)24(11)9-17(25)22-8-14-5-6-16(20)23-12(14)2/h5-7,13H,3-4,8-10,21H2,1-2H3,(H2,20,23)(H,22,25) | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126486
(CHEMBL32549 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(CC3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C20H26N6O4S/c1-12-7-16-19(23-11-25(31(16,29)30)9-14-3-4-14)20(28)26(12)10-18(27)22-8-15-5-6-17(21)24-13(15)2/h5-7,14,23H,3-4,8-11H2,1-2H3,(H2,21,24)(H,22,27) | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126491
(2-(3-Amino-4-cyclohexanesulfonyl-6-methyl-2-oxo-2H...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h8-10,16H,3-7,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126488
(2-(3-Amino-4-benzenesulfonyl-6-methyl-2-oxo-2H-pyr...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H23N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h3-10H,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126485
(CHEMBL416033 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)Show SMILES Cc1cc2c(NCN(CC3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C21H28N6O4S/c1-13-8-17-20(24-12-26(32(17,30)31)10-15-4-3-5-15)21(29)27(13)11-19(28)23-9-16-6-7-18(22)25-14(16)2/h6-8,15,24H,3-5,9-12H2,1-2H3,(H2,22,25)(H,23,28) | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126492
(2-[3-Amino-4-(cyclopropylmethyl-sulfamoyl)-6-methy...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C19H26N6O4S/c1-11-7-15(30(28,29)23-8-13-3-4-13)18(21)19(27)25(11)10-17(26)22-9-14-5-6-16(20)24-12(14)2/h5-7,13,23H,3-4,8-10,21H2,1-2H3,(H2,20,24)(H,22,26) | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126496
(2-(3-Amino-4-cyclopropylsulfamoyl-6-methyl-2-oxo-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C18H24N6O4S/c1-10-7-14(29(27,28)23-13-4-5-13)17(20)18(26)24(10)9-16(25)21-8-12-3-6-15(19)22-11(12)2/h3,6-7,13,23H,4-5,8-9,20H2,1-2H3,(H2,19,22)(H,21,25) | PDB
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| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126487
(CHEMBL34614 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(C3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C20H26N6O4S/c1-12-8-16-19(23-11-26(31(16,29)30)15-4-3-5-15)20(28)25(12)10-18(27)22-9-14-6-7-17(21)24-13(14)2/h6-8,15,23H,3-5,9-11H2,1-2H3,(H2,21,24)(H,22,27) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126489
(2-(3-Amino-4-cyclopropanesulfonyl-6-methyl-2-oxo-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C18H23N5O4S/c1-10-7-14(28(26,27)13-4-5-13)17(20)18(25)23(10)9-16(24)21-8-12-3-6-15(19)22-11(12)2/h3,6-7,13H,4-5,8-9,20H2,1-2H3,(H2,19,22)(H,21,24) | 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
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126484
(CHEMBL32686 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(C3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C19H24N6O4S/c1-11-7-15-18(22-10-25(14-4-5-14)30(15,28)29)19(27)24(11)9-17(26)21-8-13-3-6-16(20)23-12(13)2/h3,6-7,14,22H,4-5,8-10H2,1-2H3,(H2,20,23)(H,21,26) | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50126497
(2-[3-Amino-6-methyl-2-oxo-4-(toluene-4-sulfonyl)-2...)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(C)n(CC(=O)NCc2ccc(N)nc2C)c(=O)c1N Show InChI InChI=1S/C22H25N5O4S/c1-13-4-7-17(8-5-13)32(30,31)18-10-14(2)27(22(29)21(18)24)12-20(28)25-11-16-6-9-19(23)26-15(16)3/h4-10H,11-12,24H2,1-3H3,(H2,23,26)(H,25,28) | PDB
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| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126491
(2-(3-Amino-4-cyclohexanesulfonyl-6-methyl-2-oxo-2H...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h8-10,16H,3-7,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
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Similars
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| 260 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126499
(2-[3-Amino-6-methyl-2-oxo-4-(thiophene-2-sulfonyl)...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C19H21N5O4S2/c1-11-8-14(30(27,28)17-4-3-7-29-17)18(21)19(26)24(11)10-16(25)22-9-13-5-6-15(20)23-12(13)2/h3-8H,9-10,21H2,1-2H3,(H2,20,23)(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 340 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126488
(2-(3-Amino-4-benzenesulfonyl-6-methyl-2-oxo-2H-pyr...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H23N5O4S/c1-13-10-17(31(29,30)16-6-4-3-5-7-16)20(23)21(28)26(13)12-19(27)24-11-15-8-9-18(22)25-14(15)2/h3-10H,11-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 500 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126493
(2-(3-Amino-4-cyclobutylmethanesulfonyl-6-methyl-2-...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C20H27N5O4S/c1-12-8-16(30(28,29)11-14-4-3-5-14)19(22)20(27)25(12)10-18(26)23-9-15-6-7-17(21)24-13(15)2/h6-8,14H,3-5,9-11,22H2,1-2H3,(H2,21,24)(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 550 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126495
(2-(3-Amino-4-cyclopentylmethanesulfonyl-6-methyl-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CCCC1 Show InChI InChI=1S/C21H29N5O4S/c1-13-9-17(31(29,30)12-15-5-3-4-6-15)20(23)21(28)26(13)11-19(27)24-10-16-7-8-18(22)25-14(16)2/h7-9,15H,3-6,10-12,23H2,1-2H3,(H2,22,25)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 630 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126483
(2-[3-Amino-4-(cyclobutylmethyl-sulfamoyl)-6-methyl...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CCC1 Show InChI InChI=1S/C20H28N6O4S/c1-12-8-16(31(29,30)24-9-14-4-3-5-14)19(22)20(28)26(12)11-18(27)23-10-15-6-7-17(21)25-13(15)2/h6-8,14,24H,3-5,9-11,22H2,1-2H3,(H2,21,25)(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 740 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126497
(2-[3-Amino-6-methyl-2-oxo-4-(toluene-4-sulfonyl)-2...)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(C)n(CC(=O)NCc2ccc(N)nc2C)c(=O)c1N Show InChI InChI=1S/C22H25N5O4S/c1-13-4-7-17(8-5-13)32(30,31)18-10-14(2)27(22(29)21(18)24)12-20(28)25-11-16-6-9-19(23)26-15(16)3/h4-10H,11-12,24H2,1-3H3,(H2,23,26)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 800 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126492
(2-[3-Amino-4-(cyclopropylmethyl-sulfamoyl)-6-methy...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C19H26N6O4S/c1-11-7-15(30(28,29)23-8-13-3-4-13)18(21)19(27)25(11)10-17(26)22-9-14-5-6-16(20)24-12(14)2/h5-7,13,23H,3-4,8-10,21H2,1-2H3,(H2,20,24)(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.00E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126494
(2-(3-Amino-4-cyclobutylsulfamoyl-6-methyl-2-oxo-2H...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NC1CCC1 Show InChI InChI=1S/C19H26N6O4S/c1-11-8-15(30(28,29)24-14-4-3-5-14)18(21)19(27)25(11)10-17(26)22-9-13-6-7-16(20)23-12(13)2/h6-8,14,24H,3-5,9-10,21H2,1-2H3,(H2,20,23)(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.10E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126498
(2-(3-Amino-6-methyl-2-oxo-4-phenylmethanesulfonyl-...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc(c(N)c1=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N5O4S/c1-14-10-18(32(30,31)13-16-6-4-3-5-7-16)21(24)22(29)27(14)12-20(28)25-11-17-8-9-19(23)26-15(17)2/h3-10H,11-13,24H2,1-2H3,(H2,23,26)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.60E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126485
(CHEMBL416033 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)Show SMILES Cc1cc2c(NCN(CC3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C21H28N6O4S/c1-13-8-17-20(24-12-26(32(17,30)31)10-15-4-3-5-15)21(29)27(13)11-19(28)23-9-16-6-7-18(22)25-14(16)2/h6-8,15,24H,3-5,9-12H2,1-2H3,(H2,22,25)(H,23,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.60E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126490
(2-(3-Amino-4-cyclopropylmethanesulfonyl-6-methyl-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)CC1CC1 Show InChI InChI=1S/C19H25N5O4S/c1-11-7-15(29(27,28)10-13-3-4-13)18(21)19(26)24(11)9-17(25)22-8-14-5-6-16(20)23-12(14)2/h5-7,13H,3-4,8-10,21H2,1-2H3,(H2,20,23)(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.90E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126489
(2-(3-Amino-4-cyclopropanesulfonyl-6-methyl-2-oxo-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C18H23N5O4S/c1-10-7-14(28(26,27)13-4-5-13)17(20)18(25)23(10)9-16(24)21-8-12-3-6-15(19)22-11(12)2/h3,6-7,13H,4-5,8-9,20H2,1-2H3,(H2,19,22)(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.80E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126496
(2-(3-Amino-4-cyclopropylsulfamoyl-6-methyl-2-oxo-2...)Show SMILES Cc1cc(c(N)c(=O)n1CC(=O)NCc1ccc(N)nc1C)S(=O)(=O)NC1CC1 Show InChI InChI=1S/C18H24N6O4S/c1-10-7-14(29(27,28)23-13-4-5-13)17(20)18(26)24(10)9-16(25)21-8-12-3-6-15(19)22-11(12)2/h3,6-7,13,23H,4-5,8-9,20H2,1-2H3,(H2,19,22)(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.90E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126486
(CHEMBL32549 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(CC3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C20H26N6O4S/c1-12-7-16-19(23-11-25(31(16,29)30)9-14-3-4-14)20(28)26(12)10-18(27)22-8-15-5-6-17(21)24-13(15)2/h5-7,14,23H,3-4,8-11H2,1-2H3,(H2,21,24)(H,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.10E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126487
(CHEMBL34614 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(C3CCC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C20H26N6O4S/c1-12-8-16-19(23-11-26(31(16,29)30)15-4-3-5-15)20(28)25(12)10-18(27)22-9-14-6-7-17(21)24-13(14)2/h6-8,15,23H,3-5,9-11H2,1-2H3,(H2,21,24)(H,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.30E+3 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50126484
(CHEMBL32686 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)Show SMILES Cc1cc2c(NCN(C3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C19H24N6O4S/c1-11-7-15-18(22-10-25(14-4-5-14)30(15,28)29)19(27)24(11)9-17(26)21-8-13-3-6-16(20)23-12(13)2/h3,6-7,14,22H,4-5,8-10H2,1-2H3,(H2,20,23)(H,21,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.00E+4 | 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 activity of the compound against human trypsin |
Bioorg Med Chem Lett 13: 1441-4 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q8C |
More data for this
Ligand-Target Pair | |
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