Found 7 hits for monomerid = 50029703 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant |
J Med Chem 38: 4687-92 (1995)
BindingDB Entry DOI: 10.7270/Q2KP816X |
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 Evaluated for inhibitory activity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 331-336 (1995)
Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60 |
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 | 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 | |
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 | |
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
| n/a | n/a | n/a | n/a | n/a | n/a | 4.45E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 331-336 (1995)
Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60 |
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
| n/a | n/a | n/a | n/a | n/a | 0.0000120 | 4.45E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE) |
Bioorg Med Chem Lett 5: 331-336 (1995)
Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60 |
More data for this Ligand-Target Pair | |