Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50029629 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)) | BDBM50039631
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50039631
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.0302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Observed binding affinity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50039642
(2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3...)Show SMILES CCc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C17H13Cl2NO5S/c1-2-10-5-3-8-13-14(10)16(21)20(26(13,23)24)9-25-17(22)15-11(18)6-4-7-12(15)19/h3-8H,2,9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.0708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Observed binding affinity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50005147
((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...)Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23-,24?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286322
(2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3...)Show SMILES CCC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:6| Show InChI InChI=1S/C17H17Cl2NO5S/c1-2-10-5-3-8-13-14(10)16(21)20(26(13,23)24)9-25-17(22)15-11(18)6-4-7-12(15)19/h4,6-7,10H,2-3,5,8-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286322
(2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3...)Show SMILES CCC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:6| Show InChI InChI=1S/C17H17Cl2NO5S/c1-2-10-5-3-8-13-14(10)16(21)20(26(13,23)24)9-25-17(22)15-11(18)6-4-7-12(15)19/h4,6-7,10H,2-3,5,8-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Observed binding affinity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286324
(2,6-Dichloro-benzoic acid 3,3,5-trioxo-3lambda*6*-...)Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)C2=C(C3CCC2C3)S1(=O)=O |t:16,TLB:22:16:21:19.18,THB:13:15:21:19.18| Show InChI InChI=1S/C16H13Cl2NO5S/c17-10-2-1-3-11(18)13(10)16(21)24-7-19-15(20)12-8-4-5-9(6-8)14(12)25(19,22)23/h1-3,8-9H,4-7H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286323
(2,6-Dichloro-benzoic acid 4-methyl-1,1,3-trioxo-1,...)Show SMILES CC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:5| Show InChI InChI=1S/C16H15Cl2NO5S/c1-9-4-2-7-12-13(9)15(20)19(25(12,22)23)8-24-16(21)14-10(17)5-3-6-11(14)18/h3,5-6,9H,2,4,7-8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286321
(2,6-Dichloro-benzoic acid 4,4-dimethyl-1,1,3-triox...)Show SMILES CC1(C)CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:6| Show InChI InChI=1S/C17H17Cl2NO5S/c1-17(2)8-4-7-12-14(17)15(21)20(26(12,23)24)9-25-16(22)13-10(18)5-3-6-11(13)19/h3,5-6H,4,7-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286320
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)Show SMILES CC(C)C1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:7| Show InChI InChI=1S/C18H19Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h4,6-7,10-11H,3,5,8-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286320
(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)Show SMILES CC(C)C1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:7| Show InChI InChI=1S/C18H19Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h4,6-7,10-11H,3,5,8-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Observed binding affinity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286323
(2,6-Dichloro-benzoic acid 4-methyl-1,1,3-trioxo-1,...)Show SMILES CC1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O |c:5| Show InChI InChI=1S/C16H15Cl2NO5S/c1-9-4-2-7-12-13(9)15(20)19(25(12,22)23)8-24-16(21)14-10(17)5-3-6-11(14)18/h3,5-6,9H,2,4,7-8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50039644
(2,6-Dichloro-benzoic acid 4-methyl-1,1,3-trioxo-1,...)Show SMILES Cc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C16H11Cl2NO5S/c1-9-4-2-7-12-13(9)15(20)19(25(12,22)23)8-24-16(21)14-10(17)5-3-6-11(14)18/h2-7H,8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Observed binding affinity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50039636
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-1,3-dihydro...)Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C15H9Cl2NO5S/c16-10-5-3-6-11(17)13(10)15(20)23-8-18-14(19)9-4-1-2-7-12(9)24(18,21)22/h1-7H,8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Observed binding affinity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286318
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-3,4,5,6-tet...)Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)C2=C(CCC2)S1(=O)=O |t:16| Show InChI InChI=1S/C14H11Cl2NO5S/c15-9-4-2-5-10(16)12(9)14(19)22-7-17-13(18)8-3-1-6-11(8)23(17,20)21/h2,4-5H,1,3,6-7H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286319
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-1,3,4,5,6,7...)Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)C2=C(CCCC2)S1(=O)=O |t:16| Show InChI InChI=1S/C15H13Cl2NO5S/c16-10-5-3-6-11(17)13(10)15(20)23-8-18-14(19)9-4-1-2-7-12(9)24(18,21)22/h3,5-6H,1-2,4,7-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286319
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-1,3,4,5,6,7...)Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)C2=C(CCCC2)S1(=O)=O |t:16| Show InChI InChI=1S/C15H13Cl2NO5S/c16-10-5-3-6-11(17)13(10)15(20)23-8-18-14(19)9-4-1-2-7-12(9)24(18,21)22/h3,5-6H,1-2,4,7-8H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286325
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-3,4,5,6,7,8...)Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)C2=C(CCCCC2)S1(=O)=O |t:16| Show InChI InChI=1S/C16H15Cl2NO5S/c17-11-6-4-7-12(18)14(11)16(21)24-9-19-15(20)10-5-2-1-3-8-13(10)25(19,22)23/h4,6-7H,1-3,5,8-9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) |
Bioorg Med Chem Lett 5: 325-330 (1995)
Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV |
More data for this Ligand-Target Pair | |