Found 303 hits with Last Name = 'bell' and Initial = 'mr' 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)) | BDBM50039635
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O Show InChI InChI=1S/C24H26Cl2N2O7S2/c1-14(2)15-5-4-6-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)7-8-18(22(21)26)37(33,34)28-11-9-27(3)10-12-28/h4-8,14,19H,9-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036480
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)16-4-3-5-19-20(16)23(29)28(36(19,31)32)14-35-24(30)21-17(25)6-7-18(22(21)26)34-13-10-27-8-11-33-12-9-27/h3-7,15H,8-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc.
Curated by ChEMBL
| Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant |
J Med Chem 38: 739-44 (1995)
BindingDB Entry DOI: 10.7270/Q2W66JTD |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50039646
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O Show InChI InChI=1S/C25H27Cl2NO7S/c1-15(2)16-4-3-5-19-21(16)24(29)20(36(19,31)32)14-35-25(30)22-17(26)6-7-18(23(22)27)34-13-10-28-8-11-33-12-9-28/h3-7,15,20H,8-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50039637
(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O Show InChI InChI=1S/C24H28Cl2N2O7S2/c1-14(2)15-7-6-8-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)9-10-18(22(21)26)37(33,34)28(5)12-11-27(3)4/h6-10,14,19H,11-13H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036478
(3-Carboxymethoxy-2,6-dichloro-benzoic acid 4-isopr...)Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCC(O)=O)c3Cl)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H19Cl2NO9S/c1-10(2)12-6-11(31-3)7-15-17(12)20(27)24(34(15,29)30)9-33-21(28)18-13(22)4-5-14(19(18)23)32-8-16(25)26/h4-7,10H,8-9H2,1-3H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc.
Curated by ChEMBL
| Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant |
J Med Chem 38: 739-44 (1995)
BindingDB Entry DOI: 10.7270/Q2W66JTD |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036476
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCN(C)CC3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C24H27Cl2N3O8S2/c1-14(2)16-11-15(36-4)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)5-6-18(22(21)26)38(32,33)28-9-7-27(3)8-10-28/h5-6,11-12,14H,7-10,13H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc.
Curated by ChEMBL
| Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant |
J Med Chem 38: 739-44 (1995)
BindingDB Entry DOI: 10.7270/Q2W66JTD |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036481
(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C24H29Cl2N3O8S2/c1-14(2)16-11-15(36-6)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)7-8-18(22(21)26)38(32,33)28(5)10-9-27(3)4/h7-8,11-12,14H,9-10,13H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc.
Curated by ChEMBL
| Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant |
J Med Chem 38: 739-44 (1995)
BindingDB Entry DOI: 10.7270/Q2W66JTD |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036477
(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc.
Curated by ChEMBL
| Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant |
J Med Chem 38: 739-44 (1995)
BindingDB Entry DOI: 10.7270/Q2W66JTD |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036475
(2,6-Dichloro-3-(2-pyrrolidin-1-yl-ethoxy)-benzoic ...)Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCCC4)c3Cl)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C25H28Cl2N2O7S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(37(20,32)33)14-36-25(31)22-18(26)6-7-19(23(22)27)35-11-10-28-8-4-5-9-28/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc.
Curated by ChEMBL
| Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant |
J Med Chem 38: 739-44 (1995)
BindingDB Entry DOI: 10.7270/Q2W66JTD |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50029699
(2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...)Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.0230 | 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)) | 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
| PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286326
(2,6-Dichloro-benzoic acid 6-fluoro-4-isopropyl-1,1...)Show SMILES CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C18H14Cl2FNO5S/c1-9(2)11-6-10(21)7-14-15(11)17(23)22(28(14,25)26)8-27-18(24)16-12(19)4-3-5-13(16)20/h3-7,9H,8H2,1-2H3 | 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
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)) | 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
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)) | 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)) | BDBM50039641
(2,6-Dichloro-benzoic acid 4-sec-butyl-1,1,3-trioxo...)Show SMILES CCC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C19H17Cl2NO5S/c1-3-11(2)12-6-4-9-15-16(12)18(23)22(28(15,25)26)10-27-19(24)17-13(20)7-5-8-14(17)21/h4-9,11H,3,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
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)) | 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
| PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036482
(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)Show SMILES CC(C)c1cc(O)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O Show InChI InChI=1S/C23H25Cl2N3O8S2/c1-13(2)15-10-14(29)11-18-19(15)22(30)28(38(18,34)35)12-36-23(31)20-16(24)4-5-17(21(20)25)37(32,33)27-8-6-26(3)7-9-27/h4-5,10-11,13,29H,6-9,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc.
Curated by ChEMBL
| Assay Description
Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant |
J Med Chem 38: 739-44 (1995)
BindingDB Entry DOI: 10.7270/Q2W66JTD |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286333
(5,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES CCCc1c2C(=O)N(CSc3nnnn3-c3ccccc3)S(=O)(=O)c2cc(OC)c1OC Show InChI InChI=1S/C20H21N5O5S2/c1-4-8-14-17-16(11-15(29-2)18(14)30-3)32(27,28)24(19(17)26)12-31-20-21-22-23-25(20)13-9-6-5-7-10-13/h5-7,9-11H,4,8,12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.200 | 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 | 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)) | 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 | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant |
Bioorg Med Chem Lett 4: 1801-1806 (1994)
Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP |
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 | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ratio of Koff to that of Kon was determined on 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)) | 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
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant |
Bioorg Med Chem Lett 4: 1801-1806 (1994)
Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP |
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)) | 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
Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact |
Bioorg Med Chem Lett 5: 319-324 (1995)
Article DOI: 10.1016/0960-894X(95)00028-R
BindingDB Entry DOI: 10.7270/Q22F7NDM |
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
Ratio of Koff to that of Kon was determined on 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)) | 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 | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ratio of Koff to that of Kon was determined on 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)) | 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 | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant |
Bioorg Med Chem Lett 4: 1801-1806 (1994)
Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP |
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
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant |
Bioorg Med Chem Lett 4: 1801-1806 (1994)
Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP |
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
Ratio of Koff to that of Kon was determined on 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)) | 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)) | BDBM50286305
(2-[2-Chloro-4-(morpholine-4-sulfonyl)-phenoxymethy...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1ccc(cc1Cl)S(=O)(=O)N1CCOCC1)S2(=O)=O Show InChI InChI=1S/C21H23ClN2O7S2/c1-14(2)16-4-3-5-19-20(16)21(25)24(33(19,28)29)13-31-18-7-6-15(12-17(18)22)32(26,27)23-8-10-30-11-9-23/h3-7,12,14H,8-11,13H2,1-2H3 | 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
Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact |
Bioorg Med Chem Lett 5: 319-324 (1995)
Article DOI: 10.1016/0960-894X(95)00028-R
BindingDB Entry DOI: 10.7270/Q22F7NDM |
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)) | BDBM50039634
(2,6-Dichloro-benzoic acid 1,1,3-trioxo-4-phenyl-1,...)Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)c2c(cccc2-c2ccccc2)S1(=O)=O Show InChI InChI=1S/C21H13Cl2NO5S/c22-15-9-5-10-16(23)19(15)21(26)29-12-24-20(25)18-14(13-6-2-1-3-7-13)8-4-11-17(18)30(24,27)28/h1-11H,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
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
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| CHEMBL
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PC sid
UniChem
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| 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)) | 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
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| 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
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| 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)) | 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
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| CHEMBL
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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)) | 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)) | BDBM50286329
(2,6-Dichloro-benzoic acid 4-isopropyl-6-(4-methyl-...)Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)16-11-15(27-9-7-26(3)8-10-27)12-19-20(16)22(29)28(34(19,31)32)13-33-23(30)21-17(24)5-4-6-18(21)25/h4-6,11-12,14H,7-10,13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.10 | 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)) | BDBM50286307
(2,6-Dichloro-4-(4-isopropyl-1,1,3-trioxo-1,3-dihyd...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cc(Cl)c(C(=O)OCCN3CCOCC3)c(Cl)c1)S2(=O)=O Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)17-4-3-5-20-21(17)23(29)28(36(20,31)32)14-35-16-12-18(25)22(19(26)13-16)24(30)34-11-8-27-6-9-33-10-7-27/h3-5,12-13,15H,6-11,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact |
Bioorg Med Chem Lett 5: 319-324 (1995)
Article DOI: 10.1016/0960-894X(95)00028-R
BindingDB Entry DOI: 10.7270/Q22F7NDM |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282865
(2-Chloromethyl-1,1-dioxo-1,2-dihydro-1lambda*6*-be...)Show InChI InChI=1S/C8H6ClNO3S/c9-5-10-8(11)6-3-1-2-4-7(6)14(10,12)13/h1-4H,5H2 | PDB
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Reactome pathway
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CHEMBL
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| Article
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant |
Bioorg Med Chem Lett 4: 1801-1806 (1994)
Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP |
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
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| 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
Ratio of Koff to that of Kon was determined on 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)) | 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
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| 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
Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant |
Bioorg Med Chem Lett 4: 1801-1806 (1994)
Article DOI: 10.1016/S0960-894X(01)80374-7
BindingDB Entry DOI: 10.7270/Q25M65PP |
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
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KEGG
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| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division
Curated by ChEMBL
| Assay Description
In vitro inhibition constant of human leukocyte elastase. |
J Med Chem 37: 2623-6 (1994)
BindingDB Entry DOI: 10.7270/Q2ST7QGN |
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
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| 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)) | 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
Ratio of Koff to that of Kon was determined on 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)) | 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 | |
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