Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50029628 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)) | 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)) | 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)) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| 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)) | BDBM50003163
((S)-1-((6R,7S)-3-Acetoxymethyl-7-methoxy-5,5,8-tri...)Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCCC1C(O)=O)=C(COC(C)=O)CS2(=O)=O |t:19| Show InChI InChI=1S/C16H20N2O9S/c1-8(19)27-6-9-7-28(24,25)15-12(26-2)14(21)18(15)11(9)13(20)17-5-3-4-10(17)16(22)23/h10,12,15H,3-7H2,1-2H3,(H,22,23)/t10?,12-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.20 | 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)) | BDBM50286316
(2,6-Dichloro-3-(4-isopropyl-1,1,3-trioxo-1,3-dihyd...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)NCCN3CCOCC3)c1Cl)S2(=O)=O Show InChI InChI=1S/C24H27Cl2N3O6S/c1-15(2)16-4-3-5-19-20(16)24(31)29(36(19,32)33)14-35-18-7-6-17(25)21(22(18)26)23(30)27-8-9-28-10-12-34-13-11-28/h3-7,15H,8-14H2,1-2H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.5 | 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)) | BDBM50286308
(2-[2,4-Dichloro-3-(4-methyl-piperazine-1-carbonyl)...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)15-5-4-6-18-19(15)23(30)28(34(18,31)32)13-33-17-8-7-16(24)20(21(17)25)22(29)27-11-9-26(3)10-12-27/h4-8,14H,9-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4 | 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)) | BDBM50286313
(4-Isopropyl-2-[3-(4-methyl-piperazine-1-carbonyl)-...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cccc(c1)C(=O)N1CCN(C)CC1)S2(=O)=O Show InChI InChI=1S/C23H27N3O5S/c1-16(2)19-8-5-9-20-21(19)23(28)26(32(20,29)30)15-31-18-7-4-6-17(14-18)22(27)25-12-10-24(3)11-13-25/h4-9,14,16H,10-13,15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 10 | 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)) | BDBM50286311
(4-Isopropyl-2-[4-(morpholine-4-sulfonyl)-phenoxyme...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1ccc(cc1)S(=O)(=O)N1CCOCC1)S2(=O)=O Show InChI InChI=1S/C21H24N2O7S2/c1-15(2)18-4-3-5-19-20(18)21(24)23(32(19,27)28)14-30-16-6-8-17(9-7-16)31(25,26)22-10-12-29-13-11-22/h3-9,15H,10-14H2,1-2H3 | 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 | 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)) | BDBM50286317
(2,6-Dichloro-3-(4-isopropyl-1,1,3-trioxo-1,3-dihyd...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(O)=O)c1Cl)S2(=O)=O Show InChI InChI=1S/C18H15Cl2NO6S/c1-9(2)10-4-3-5-13-14(10)17(22)21(28(13,25)26)8-27-12-7-6-11(19)15(16(12)20)18(23)24/h3-7,9H,8H2,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 34 | 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)) | BDBM50286315
(4-Isopropyl-2-[3-(4-methyl-piperazine-1-sulfonyl)-...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cccc(c1)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O Show InChI InChI=1S/C22H27N3O6S2/c1-16(2)19-8-5-9-20-21(19)22(26)25(33(20,29)30)15-31-17-6-4-7-18(14-17)32(27,28)24-12-10-23(3)11-13-24/h4-9,14,16H,10-13,15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 42 | 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)) | BDBM50286314
(CHEMBL323411 | N-(2-Dimethylamino-ethyl)-3-(4-isop...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cccc(c1)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O Show InChI InChI=1S/C22H29N3O6S2/c1-16(2)19-10-7-11-20-21(19)22(26)25(33(20,29)30)15-31-17-8-6-9-18(14-17)32(27,28)24(5)13-12-23(3)4/h6-11,14,16H,12-13,15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 52 | 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)) | BDBM50286306
(2-(2,6-Dichloro-phenoxymethyl)-4-isopropyl-1,1-dio...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C17H15Cl2NO4S/c1-10(2)11-5-3-8-14-15(11)17(21)20(25(14,22)23)9-24-16-12(18)6-4-7-13(16)19/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
| >100 | 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)) | BDBM50286310
(3-(4-Isopropyl-1,1,3-trioxo-1,3-dihydro-1lambda*6*...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cccc(c1)C(=O)NCCN1CCOCC1)S2(=O)=O Show InChI InChI=1S/C24H29N3O6S/c1-17(2)20-7-4-8-21-22(20)24(29)27(34(21,30)31)16-33-19-6-3-5-18(15-19)23(28)25-9-10-26-11-13-32-14-12-26/h3-8,15,17H,9-14,16H2,1-2H3,(H,25,28) | 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
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)) | BDBM50286312
(3-(4-Isopropyl-1,1,3-trioxo-1,3-dihydro-1lambda*6*...)Show SMILES CC(C)c1cccc2c1C(=O)N(COc1cccc(c1)C(=O)OCCN1CCOCC1)S2(=O)=O Show InChI InChI=1S/C24H28N2O7S/c1-17(2)20-7-4-8-21-22(20)23(27)26(34(21,29)30)16-33-19-6-3-5-18(15-19)24(28)32-14-11-25-9-12-31-13-10-25/h3-8,15,17H,9-14,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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
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 | |
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