Found 45 hits of Enzyme Inhibition Constant Data 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)) | BDBM50029703
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.270 | n/a | n/a | n/a | n/a | n/a | 4.45E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50029703
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282874
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.300 | n/a | n/a | n/a | n/a | n/a | 9.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | 4.90E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282873
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | 9.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | 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 | 1.00E+5 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | 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 Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282866
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3 | 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 | 6.30E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286330
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | 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 Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286330
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | 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 | 5.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282878
(4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...)Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | 5.60E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036479
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | 5.60E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036479
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286331
(4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282866
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 26 | n/a | n/a | n/a | n/a | n/a | 130 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282871
(4-Methyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsul...)Show SMILES Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O3S2/c1-11-6-5-9-13-14(11)15(22)20(26(13,23)24)10-25-16-17-18-19-21(16)12-7-3-2-4-8-12/h2-9H,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 32 | n/a | n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282874
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282874
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 39 | n/a | n/a | n/a | n/a | n/a | 140 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282869
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,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
| 60 | n/a | n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50036479
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 62 | n/a | n/a | n/a | n/a | n/a | 240 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282871
(4-Methyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsul...)Show SMILES Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O3S2/c1-11-6-5-9-13-14(11)15(22)20(26(13,23)24)10-25-16-17-18-19-21(16)12-7-3-2-4-8-12/h2-9H,10H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 74 | n/a | n/a | n/a | n/a | n/a | 280 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282878
(4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...)Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 400 | n/a | n/a | n/a | n/a | n/a | 210 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50029703
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50286330
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282869
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282873
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50286331
(4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282869
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,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
| n/a | n/a | n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282866
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 6.30E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282878
(4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...)Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 5.60E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282874
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 9.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50036479
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 240 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against porcine pancreatic elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282873
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 9.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286331
(4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282878
(4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...)Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 210 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against porcine pancreatic elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282866
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against porcine pancreatic elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50288449
(CHEMBL97912 | N-((S)-1-{(S)-2-[(R)-2-((S)-3-Chloro...)Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)CCl Show InChI InChI=1S/C22H35ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-15,19H,6-11H2,1-5H3,(H,24,29)(H,25,31)(H,26,32)/t13-,14-,15+,19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 830 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50288449
(CHEMBL97912 | N-((S)-1-{(S)-2-[(R)-2-((S)-3-Chloro...)Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)CCl Show InChI InChI=1S/C22H35ClN4O7/c1-12(2)19(16(28)11-23)26-21(32)15-7-6-10-27(15)22(33)14(4)25-20(31)13(3)24-17(29)8-9-18(30)34-5/h12-15,19H,6-11H2,1-5H3,(H,24,29)(H,25,31)(H,26,32)/t13-,14-,15+,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 3.15E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282871
(4-Methyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsul...)Show SMILES Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O3S2/c1-11-6-5-9-13-14(11)15(22)20(26(13,23)24)10-25-16-17-18-19-21(16)12-7-3-2-4-8-12/h2-9H,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human leukocyte elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282871
(4-Methyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsul...)Show SMILES Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O3S2/c1-11-6-5-9-13-14(11)15(22)20(26(13,23)24)10-25-16-17-18-19-21(16)12-7-3-2-4-8-12/h2-9H,10H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | n/a | n/a | 280 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against porcine pancreatic elastase |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this Ligand-Target Pair | |