Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50030884 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 |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303364
(1-(4-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3o2)cc1 Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)15-11-9-14(10-12-15)13-27-20-22-16-7-5-6-8-17(16)26-20/h5-12H,3-4,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303371
(1-(6-((Benzo[d]thiazol-2-ylthio)methyl)pyridin-3-y...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3s2)nc1 Show InChI InChI=1S/C20H19N3O2S2/c1-3-20(4-2)17(24)23(18(20)25)14-10-9-13(21-11-14)12-26-19-22-15-7-5-6-8-16(15)27-19/h5-11H,3-4,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50235615
(3,3-diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione...)Show InChI InChI=1S/C14H17NO3/c1-4-14(5-2)12(16)15(13(14)17)10-6-8-11(18-3)9-7-10/h6-9H,4-5H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303369
(1-(4-((Benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H20N2O2S2/c1-3-21(4-2)18(24)23(19(21)25)15-11-9-14(10-12-15)13-26-20-22-16-7-5-6-8-17(16)27-20/h5-12H,3-4,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303373
(3-butyl-3-ethyl-1-phenylazetidine-2,4-dione | CHEM...)Show InChI InChI=1S/C15H19NO2/c1-3-5-11-15(4-2)13(17)16(14(15)18)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303363
(2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3cc(ccc3o2)C(O)=O)cc1 Show InChI InChI=1S/C22H20N2O5S/c1-3-22(4-2)19(27)24(20(22)28)15-8-5-13(6-9-15)12-30-21-23-16-11-14(18(25)26)7-10-17(16)29-21/h5-11H,3-4,12H2,1-2H3,(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303370
(1-(4-((5-Phenyl-1,3,4-oxadiazol-2-ylthio)methyl)ph...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nnc(o2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H21N3O3S/c1-3-22(4-2)19(26)25(20(22)27)17-12-10-15(11-13-17)14-29-21-24-23-18(28-21)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50235613
(3,3-diethyl-1-phenylazetidine-2,4-dione | CHEMBL27...)Show InChI InChI=1S/C13H15NO2/c1-3-13(4-2)11(15)14(12(13)16)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303357
(3,3-Diethyl-1-(6-methylpyridin-3-yl)azetidine-2,4-...)Show InChI InChI=1S/C13H16N2O2/c1-4-13(5-2)11(16)15(12(13)17)10-7-6-9(3)14-8-10/h6-8H,4-5H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303372
(3,3-Diethyl-1-(4-((phenylthio)methyl)phenyl)azetid...)Show InChI InChI=1S/C20H21NO2S/c1-3-20(4-2)18(22)21(19(20)23)16-12-10-15(11-13-16)14-24-17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303356
(3,3-Diethyl-1-(pyridin-3-yl)azetidine-2,4-dione | ...)Show InChI InChI=1S/C12H14N2O2/c1-3-12(4-2)10(15)14(11(12)16)9-6-5-7-13-8-9/h5-8H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303361
(3-Ethyl-3-isobutyl-1-phenylazetidine-2,4-dione | C...)Show InChI InChI=1S/C15H19NO2/c1-4-15(10-11(2)3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303365
(1-(2-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2o1 Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-27-20-22-15-10-6-8-12-17(15)26-20/h5-12H,3-4,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50235616
(1-(4-chlorophenyl)-3,3-dimethylazetidine-2,4-dione...)Show InChI InChI=1S/C11H10ClNO2/c1-11(2)9(14)13(10(11)15)8-5-3-7(12)4-6-8/h3-6H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 23.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303358
(3,3-Diethyl-1-(naphthalen-1-yl)azetidine-2,4-dione...)Show InChI InChI=1S/C17H17NO2/c1-3-17(4-2)15(19)18(16(17)20)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50235610
(1-benzyl-3,3-dimethylazetidine-2,4-dione | CHEMBL5...)Show InChI InChI=1S/C12H13NO2/c1-12(2)10(14)13(11(12)15)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50235611
(4-(3,3-diethyl-2,4-dioxoazetidin-1-yl)benzonitrile...)Show InChI InChI=1S/C14H14N2O2/c1-3-14(4-2)12(17)16(13(14)18)11-7-5-10(9-15)6-8-11/h5-8H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303362
(1-(2-((Benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2s1 Show InChI InChI=1S/C21H20N2O2S2/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-26-20-22-15-10-6-8-12-17(15)27-20/h5-12H,3-4,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 99.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303359
(1-benzyl-3,3-diethylazetidine-2,4-dione | CHEMBL27...)Show InChI InChI=1S/C14H17NO2/c1-3-14(4-2)12(16)15(13(14)17)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303374
(3-Benzyl-3-ethyl-1-phenylazetidine-2,4-dione | CHE...)Show InChI InChI=1S/C18H17NO2/c1-2-18(13-14-9-5-3-6-10-14)16(20)19(17(18)21)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303368
(1-(2-((1-Methyl-1H-imidazol-2-ylthio)methyl)phenyl...)Show InChI InChI=1S/C18H21N3O2S/c1-4-18(5-2)15(22)21(16(18)23)14-9-7-6-8-13(14)12-24-17-19-10-11-20(17)3/h6-11H,4-5,12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303360
(CHEMBL271820 | ethyl 2-(3,3-Diethyl-2,4-dioxoazeti...)Show InChI InChI=1S/C11H17NO4/c1-4-11(5-2)9(14)12(10(11)15)7-8(13)16-6-3/h4-7H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303355
(3,3-Diethyl-1-o-tolylazetidine-2,4-dione | CHEMBL5...)Show InChI InChI=1S/C14H17NO2/c1-4-14(5-2)12(16)15(13(14)17)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 233 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303366
(3-Benzyl-3-methyl-1-phenylazetidine-2,4-dione | CH...)Show InChI InChI=1S/C17H15NO2/c1-17(12-13-8-4-2-5-9-13)15(19)18(16(17)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303367
(1-(2-((5-Phenyl-1,3,4-oxadiazol-2-ylthio)methyl)ph...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3S/c1-3-22(4-2)19(26)25(20(22)27)17-13-9-8-12-16(17)14-29-21-24-23-18(28-21)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 353 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303365
(1-(2-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2o1 Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-27-20-22-15-10-6-8-12-17(15)26-20/h5-12H,3-4,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303364
(1-(4-((Benzo[d]oxazol-2-ylthio)methyl)phenyl)-3,3-...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3ccccc3o2)cc1 Show InChI InChI=1S/C21H20N2O3S/c1-3-21(4-2)18(24)23(19(21)25)15-11-9-14(10-12-15)13-27-20-22-16-7-5-6-8-17(16)26-20/h5-12H,3-4,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303363
(2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3cc(ccc3o2)C(O)=O)cc1 Show InChI InChI=1S/C22H20N2O5S/c1-3-22(4-2)19(27)24(20(22)28)15-8-5-13(6-9-15)12-30-21-23-16-11-14(18(25)26)7-10-17(16)29-21/h5-11H,3-4,12H2,1-2H3,(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50303362
(1-(2-((Benzo[d]thiazol-2-ylthio)methyl)phenyl)-3,3...)Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccccc1CSc1nc2ccccc2s1 Show InChI InChI=1S/C21H20N2O2S2/c1-3-21(4-2)18(24)23(19(21)25)16-11-7-5-9-14(16)13-26-20-22-15-10-6-8-12-17(15)27-20/h5-12H,3-4,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50235612
(1-(4-chlorophenyl)-3,3-diethylazetidine-2,4-dione ...)Show InChI InChI=1S/C13H14ClNO2/c1-3-13(4-2)11(16)15(12(13)17)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 57.9 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50235614
(3,3-diethyl-1-(4-tolyl)azetidine-2,4-dione | 3,3-d...)Show InChI InChI=1S/C14H17NO2/c1-4-14(5-2)12(16)15(13(14)17)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 48.2 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase after 20 mins |
J Med Chem 53: 241-53 (2010)
Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D |
More data for this Ligand-Target Pair | |