Found 287 hits with Last Name = 'moreira' and Initial = 'r' 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)) | BDBM234270
(4-oxo-β-lactam (3))Show SMILES CCC1(CC)C(=O)N(C1=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H21NO4S/c1-3-20(4-2)18(22)21(19(20)23)16-12-10-15(11-13-16)14-26(24,25)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
| PC cid PC sid UniChem
| Article PubMed
| 0.630 | -52.5 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
University of Lisbon
| Assay Description The inhibition of the HLE was studied at 25°C by continuously monitoring the absorbance at 410 nm for 20 min of a solution prepared by mixing 10 _... |
J Enzyme Inhib Med Chem 26: 169-75 (2011)
Article DOI: 10.3109/14756366.2010.486794 BindingDB Entry DOI: 10.7270/Q2B56HM0 |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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)) | 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
| 6.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
J Med Chem 51: 1783-90 (2008)
Article DOI: 10.1021/jm701257h BindingDB Entry DOI: 10.7270/Q2ST7QPB |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM10246
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin release |
Eur J Med Chem 45: 3858-63 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59 |
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by spectrofluorometry |
Bioorg Med Chem 19: 7635-42 (2011)
Article DOI: 10.1016/j.bmc.2011.10.018 BindingDB Entry DOI: 10.7270/Q290247Z |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Papain
(Carica papaya) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon. Av. Prof. Gama Pinto
Curated by ChEMBL
| Assay Description Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by fluorescence microplate reader analysis |
Eur J Med Chem 69: 365-72 (2013)
Article DOI: 10.1016/j.ejmech.2013.08.037 BindingDB Entry DOI: 10.7270/Q2CN75BS |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50117291
(CHEMBL3613587)Show SMILES NC(=S)N\N=C(/COc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrCl2N3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-12(17)13(18)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay |
Eur J Med Chem 101: 818-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50084637
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa
Curated by ChEMBL
| Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for... |
J Med Chem 56: 9802-6 (2014)
Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50058809
(CHEMBL3329524)Show InChI InChI=1S/C20H16N4S/c1-14(18-8-4-5-11-21-18)23-24-20-22-19(13-25-20)17-10-9-15-6-2-3-7-16(15)12-17/h2-13H,1H3,(H,22,24)/b23-14+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst... |
Eur J Med Chem 86: 48-59 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50393871
(CHEMBL2158234)Show SMILES Brc1ccc(cc1)-c1noc(n1)C(=O)NN=Cc1ccc2OCOc2c1 |w:16.18| Show InChI InChI=1S/C17H11BrN4O4/c18-12-4-2-11(3-5-12)15-20-17(26-22-15)16(23)21-19-8-10-1-6-13-14(7-10)25-9-24-13/h1-8H,9H2,(H,21,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins |
Bioorg Med Chem 20: 6423-33 (2012)
Article DOI: 10.1016/j.bmc.2012.08.047 BindingDB Entry DOI: 10.7270/Q2W95B8D |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50114613
((1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazo...)Show InChI InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins |
Bioorg Med Chem 18: 7826-35 (2010)
Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50114613
((1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazo...)Show InChI InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2016.05.050 BindingDB Entry DOI: 10.7270/Q2GM8C0R |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50058806
(CHEMBL3329519)Show InChI InChI=1S/C17H16N4OS/c1-12(15-5-3-4-10-18-15)20-21-17-19-16(11-23-17)13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before subst... |
Eur J Med Chem 86: 48-59 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.012 BindingDB Entry DOI: 10.7270/Q2W097M2 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50393873
(CHEMBL2158132)Show SMILES COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Cl)cc2)ccc1O |w:5.4| Show InChI InChI=1S/C17H13ClN4O4/c1-25-14-8-10(2-7-13(14)23)9-19-21-16(24)17-20-15(22-26-17)11-3-5-12(18)6-4-11/h2-9,23H,1H3,(H,21,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins |
Bioorg Med Chem 20: 6423-33 (2012)
Article DOI: 10.1016/j.bmc.2012.08.047 BindingDB Entry DOI: 10.7270/Q2W95B8D |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50114653
((1E)-1-(3,4-dichlorophenyl)ethan-1-one thiosemicar...)Show InChI InChI=1S/C9H9Cl2N3S/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi Cruzain using Z-FR-AMC as substrate by fluorescence assay |
Bioorg Med Chem 23: 7478-86 (2015)
Article DOI: 10.1016/j.bmc.2015.10.048 BindingDB Entry DOI: 10.7270/Q2KH0Q4J |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM10246
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 59.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 7 assessed as fluorescent 7-amido-4-methylcoumarin release |
Eur J Med Chem 45: 3858-63 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.039 BindingDB Entry DOI: 10.7270/Q2X63N59 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cruzipain
(Trypanosoma cruzi) | BDBM50330929
(2-[(p-Methylphenyl)thiopropylidenehydrazinyl]-5-me...)Show InChI InChI=1S/C13H15N3S3/c1-10-12(17)15-13(19-10)16-14-8-5-9-18-11-6-3-2-4-7-11/h2-4,6-7,17H,5,8-9H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins |
Bioorg Med Chem 18: 7826-35 (2010)
Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50117285
(CHEMBL3613583)Show SMILES NC(=S)N\N=C(/COc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrClFN3OS/c16-10-3-1-9(2-4-10)14(20-21-15(19)23)8-22-11-5-6-13(18)12(17)7-11/h1-7H,8H2,(H3,19,21,23)/b20-14+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay |
Eur J Med Chem 101: 818-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.048 BindingDB Entry DOI: 10.7270/Q22R3TG5 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50444295
(CHEMBL3093806)Show SMILES CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1 Show InChI InChI=1S/C25H22N2O6S/c1-25(2,3)23(31)32-21-13-27(16-7-5-4-6-8-16)17(12-19(21)28)14-34-24-26-18-11-15(22(29)30)9-10-20(18)33-24/h4-13H,14H2,1-3H3,(H,29,30) | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa
Curated by ChEMBL
| Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for... |
J Med Chem 56: 9802-6 (2014)
Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9 |
More data for this Ligand-Target Pair | |
Cruzipain
(Trypanosoma cruzi) | BDBM50114653
((1E)-1-(3,4-dichlorophenyl)ethan-1-one thiosemicar...)Show InChI InChI=1S/C9H9Cl2N3S/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Pernambuco
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins |
Bioorg Med Chem 18: 7826-35 (2010)
Article DOI: 10.1016/j.bmc.2010.09.056 BindingDB Entry DOI: 10.7270/Q2CV4J17 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50609885
(CHEMBL5273046)Show SMILES Cc1noc(n1)-c1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| UniChem
| | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50099010
((S)-3-Fluoromethyl-7-methoxy-5,5,8-trioxo-5lambda*...)Show SMILES CO[C@@H]1C2N(C1=O)C(C(O)=O)=C(CF)CS2(=O)=O |t:11| Show InChI InChI=1S/C9H10FNO6S/c1-17-6-7(12)11-5(9(13)14)4(2-10)3-18(15,16)8(6)11/h6,8H,2-3H2,1H3,(H,13,14)/t6-,8?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
INETI
Curated by ChEMBL
| Assay Description Second-order rate constant for the inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 11: 1065-8 (2001)
BindingDB Entry DOI: 10.7270/Q2X929K6 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50444297
(CHEMBL3093815)Show InChI InChI=1S/C18H17NO4S2/c1-18(2,3)16(21)23-14-9-22-11(8-13(14)20)10-24-17-19-12-6-4-5-7-15(12)25-17/h4-9H,10H2,1-3H3 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Lisboa
Curated by ChEMBL
| Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for... |
J Med Chem 56: 9802-6 (2014)
Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9 |
More data for this Ligand-Target Pair | |
Falcipain-2
(Plasmodium falciparum) | BDBM50157741
(CHEMBL374508 | E-64 | E64)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence ... |
Eur J Med Chem 46: 927-33 (2011)
Article DOI: 10.1016/j.ejmech.2011.01.008 BindingDB Entry DOI: 10.7270/Q2ZC8345 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50609892
(CHEMBL5291291)Show SMILES Cc1noc(n1)-c1ccc(CCN2CC[C@H](C2)Nc2nc3ccccc3n2Cc2ccc(cc2)C#N)cc1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| UniChem
| | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |