Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50007302 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)) | BDBM50061031
((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C39H45F2N5O8S/c1-24(2)31(33(47)39(40,41)38(52)42-22-21-26-12-7-5-8-13-26)43-36(50)30-16-11-23-46(30)37(51)32(25(3)4)44-34(48)27-17-19-28(20-18-27)35(49)45-55(53,54)29-14-9-6-10-15-29/h5-10,12-15,17-20,24-25,30-32H,11,16,21-23H2,1-4H3,(H,42,52)(H,43,50)(H,44,48)(H,45,49)/t30-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061047
(((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...)Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C29H42F2N4O7/c1-6-7-16-41-27(39)32-17-29(30,31)24(36)22(18(2)3)33-25(37)21-14-11-15-35(21)26(38)23(19(4)5)34-28(40)42-20-12-9-8-10-13-20/h8-10,12-13,18-19,21-23H,6-7,11,14-17H2,1-5H3,(H,32,39)(H,33,37)(H,34,40)/t21-,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061028
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C32H42F2N4O5/c1-20(2)26(28(39)32(33,34)19-35-18-22-10-7-6-8-11-22)36-30(41)25-12-9-17-38(25)31(42)27(21(3)4)37-29(40)23-13-15-24(43-5)16-14-23/h6-8,10-11,13-16,20-21,25-27,35H,9,12,17-19H2,1-5H3,(H,36,41)(H,37,40)/t25-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061043
(CHEMBL106592 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1cccnc1 Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)17-34-26(39)20-10-8-14-33-16-20)35-27(40)22-13-9-15-37(22)28(41)24(19(3)4)36-29(42)43-21-11-6-5-7-12-21/h5-8,10-12,14,16,18-19,22-24H,9,13,15,17H2,1-4H3,(H,34,39)(H,35,40)(H,36,42)/t22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061037
(CHEMBL302961 | {(S)-1-[(S)-2-((S)-3-Carbamoyl-3,3-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(N)=O Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(28)35)29-21(33)17-11-8-12-31(17)22(34)19(15(3)4)30-24(36)37-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H2,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50031210
(2-((S)-2-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-m...)Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C32H38N4O8/c1-18(2)25(27(37)29-33-22-16-21(31(40)42-5)13-14-24(22)44-29)34-28(38)23-12-9-15-36(23)30(39)26(19(3)4)35-32(41)43-17-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18-19,23,25-26H,9,12,15,17H2,1-5H3,(H,34,38)(H,35,41)/t23-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061044
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-16-19(30(39)41-5)13-14-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061035
(2-((S)-3-Methyl-2-{[(S)-1-((S)-3-methyl-2-phenoxyc...)Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C31H36N4O8/c1-17(2)24(26(36)28-32-21-14-13-19(30(39)41-5)16-23(21)43-28)33-27(37)22-12-9-15-35(22)29(38)25(18(3)4)34-31(40)42-20-10-7-6-8-11-20/h6-8,10-11,13-14,16-18,22,24-25H,9,12,15H2,1-5H3,(H,33,37)(H,34,40)/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061049
(2-[(S)-2-({(S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3...)Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C32H38N4O8/c1-17(2)25(27(37)30-33-22-16-20(32(41)43-6)11-14-24(22)44-30)34-29(39)23-8-7-15-36(23)31(40)26(18(3)4)35-28(38)19-9-12-21(42-5)13-10-19/h9-14,16-18,23,25-26H,7-8,15H2,1-6H3,(H,34,39)(H,35,38)/t23-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061054
(CHEMBL110125 | CHEMBL66128 | {(S)-1-[(S)-2-((S)-4-...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN Show InChI InChI=1S/C24H34F2N4O5/c1-14(2)18(20(31)24(25,26)13-27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13,27H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061036
(CHEMBL304114 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(35)28-5)29-21(33)17-12-9-13-31(17)22(34)19(15(3)4)30-24(36)37-16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19H,9,12-13H2,1-5H3,(H,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061027
(((S)-4-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-met...)Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C30H44F2N4O7/c1-6-7-16-42-28(40)33-18-30(31,32)25(37)23(19(2)3)34-26(38)22-14-11-15-36(22)27(39)24(20(4)5)35-29(41)43-17-21-12-9-8-10-13-21/h8-10,12-13,19-20,22-24H,6-7,11,14-18H2,1-5H3,(H,33,40)(H,34,38)(H,35,41)/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
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50058344
(CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061023
(CHEMBL323231 | CHEMBL68577 | {(S)-1-[(S)-2-((S)-4-...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C32H42F2N4O5/c1-21(2)26(28(39)32(33,34)20-35-18-23-12-7-5-8-13-23)36-29(40)25-16-11-17-38(25)30(41)27(22(3)4)37-31(42)43-19-24-14-9-6-10-15-24/h5-10,12-15,21-22,25-27,35H,11,16-20H2,1-4H3,(H,36,40)(H,37,42)/t25-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061052
(CHEMBL110364 | [(S)-1-((S)-2-{(S)-3,3-Difluoro-1-i...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H37F2N5O6/c1-18(2)23(25(38)30(31,32)28(41)34-17-20-11-8-9-15-33-20)35-26(39)22-14-10-16-37(22)27(40)24(19(3)4)36-29(42)43-21-12-6-5-7-13-21/h5-9,11-13,15,18-19,22-24H,10,14,16-17H2,1-4H3,(H,34,41)(H,35,39)(H,36,42)/t22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061040
(CHEMBL2370419 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...)Show SMILES CC(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H34F3N3O5/c1-12(2)16(18(29)22(23,24)25)26-19(30)15-10-7-11-28(15)20(31)17(13(3)4)27-21(32)33-14-8-5-6-9-14/h12-17H,5-11H2,1-4H3,(H,26,30)(H,27,32)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061045
(CHEMBL110174 | {(S)-1-[(S)-2-((S)-4-Acetylamino-3,...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(C)=O Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)20(22(34)26(27,28)14-29-17(5)33)30-23(35)19-12-9-13-32(19)24(36)21(16(3)4)31-25(37)38-18-10-7-6-8-11-18/h6-8,10-11,15-16,19-21H,9,12-14H2,1-5H3,(H,29,33)(H,30,35)(H,31,37)/t19-,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036058
(CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061038
(CHEMBL308415 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...)Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)19(21(33)26(27,28)24(36)29-5)30-22(34)18-12-9-13-32(18)23(35)20(16(3)4)31-25(37)38-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,29,36)(H,30,34)(H,31,37)/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061039
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H39F2N5O6/c1-18(2)24(26(39)31(32,33)30(43)35-17-21-9-6-7-15-34-21)36-28(41)23-10-8-16-38(23)29(42)25(19(3)4)37-27(40)20-11-13-22(44-5)14-12-20/h6-7,9,11-15,18-19,23-25H,8,10,16-17H2,1-5H3,(H,35,43)(H,36,41)(H,37,40)/t23-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061046
(CHEMBL110400 | [(S)-2,2-Difluoro-4-({(S)-1-[(S)-2-...)Show SMILES CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C30H44F2N4O7/c1-7-8-16-43-29(41)33-17-30(31,32)25(37)23(18(2)3)34-27(39)22-10-9-15-36(22)28(40)24(19(4)5)35-26(38)20-11-13-21(42-6)14-12-20/h11-14,18-19,22-24H,7-10,15-17H2,1-6H3,(H,33,41)(H,34,39)(H,35,38)/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
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061048
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C26H36F2N4O6/c1-14(2)19(21(33)26(27,28)25(37)29-5)30-23(35)18-8-7-13-32(18)24(36)20(15(3)4)31-22(34)16-9-11-17(38-6)12-10-16/h9-12,14-15,18-20H,7-8,13H2,1-6H3,(H,29,37)(H,30,35)(H,31,34)/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061041
(CHEMBL108504 | CHEMBL305259 | {(S)-1-[(S)-2-((S)-4...)Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C31H40F2N4O5/c1-20(2)25(27(38)31(32,33)19-34-18-22-12-7-5-8-13-22)35-28(39)24-16-11-17-37(24)29(40)26(21(3)4)36-30(41)42-23-14-9-6-10-15-23/h5-10,12-15,20-21,24-26,34H,11,16-19H2,1-4H3,(H,35,39)(H,36,41)/t24-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50031199
(((S)-1-{(S)-2-[(S)-1-(Benzooxazole-2-carbonyl)-2-m...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C30H36N4O6/c1-18(2)24(26(35)28-31-21-13-8-9-15-23(21)40-28)32-27(36)22-14-10-16-34(22)29(37)25(19(3)4)33-30(38)39-17-20-11-6-5-7-12-20/h5-9,11-13,15,18-19,22,24-25H,10,14,16-17H2,1-4H3,(H,32,36)(H,33,38)/t22-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061029
(CHEMBL321817 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...)Show SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C20H32F3N3O5/c1-10(2)14(16(27)20(21,22)23)24-17(28)13-8-7-9-26(13)18(29)15(11(3)4)25-19(30)31-12(5)6/h10-15H,7-9H2,1-6H3,(H,24,28)(H,25,30)/t13-,14-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061042
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)c1ccccc1 Show InChI InChI=1S/C32H40F2N4O6/c1-19(2)25(27(39)32(33,34)18-35-28(40)21-10-7-6-8-11-21)36-30(42)24-12-9-17-38(24)31(43)26(20(3)4)37-29(41)22-13-15-23(44-5)16-14-22/h6-8,10-11,13-16,19-20,24-26H,9,12,17-18H2,1-5H3,(H,35,40)(H,36,42)(H,37,41)/t24-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061033
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(NC(C)=O)ccc2o1 Show InChI InChI=1S/C32H39N5O7/c1-17(2)26(28(39)31-34-23-16-21(33-19(5)38)11-14-25(23)44-31)35-30(41)24-8-7-15-37(24)32(42)27(18(3)4)36-29(40)20-9-12-22(43-6)13-10-20/h9-14,16-18,24,26-27H,7-8,15H2,1-6H3,(H,33,38)(H,35,41)(H,36,40)/t24-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061025
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES CCCNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C28H40F2N4O6/c1-7-14-31-27(39)28(29,30)23(35)21(16(2)3)32-25(37)20-9-8-15-34(20)26(38)22(17(4)5)33-24(36)18-10-12-19(40-6)13-11-18/h10-13,16-17,20-22H,7-9,14-15H2,1-6H3,(H,31,39)(H,32,37)(H,33,36)/t20-,21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50061024
((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for porcine Pancreatic elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061024
((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061022
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN Show InChI InChI=1S/C25H36F2N4O5/c1-14(2)19(21(32)25(26,27)13-28)29-23(34)18-7-6-12-31(18)24(35)20(15(3)4)30-22(33)16-8-10-17(36-5)11-9-16/h8-11,14-15,18-20H,6-7,12-13,28H2,1-5H3,(H,29,34)(H,30,33)/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061032
((S)-1-[(S)-3-Methyl-2-(2-phenoxy-acetylamino)-buty...)Show SMILES CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-14(2)19(21(32)24(25,26)27)29-22(33)17-11-8-12-30(17)23(34)20(15(3)4)28-18(31)13-35-16-9-6-5-7-10-16/h5-7,9-10,14-15,17,19-20H,8,11-13H2,1-4H3,(H,28,31)(H,29,33)/t17-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061053
(CHEMBL2370427 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...)Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C21H34F3N3O5/c1-11(2)10-32-20(31)26-16(13(5)6)19(30)27-9-7-8-14(27)18(29)25-15(12(3)4)17(28)21(22,23)24/h11-16H,7-10H2,1-6H3,(H,25,29)(H,26,31)/t14-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061030
(CHEMBL110241 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trifl...)Show SMILES CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C20H32F3N3O5/c1-10(2)14(16(27)20(21,22)23)24-17(28)13-8-7-9-26(13)18(29)15(11(3)4)25-19(30)31-12(5)6/h10-15H,7-9H2,1-6H3,(H,24,28)(H,25,30)/t13-,14?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061050
(CHEMBL110344 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trifl...)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12?,13-/m0/s1 | PDB
MMDB
Reactome pathway
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061034
(CHEMBL2370425 | {(S)-2-Methyl-1-[(S)-2-(3,3,3-trif...)Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C19H30F3N3O5/c1-6-30-18(29)24-14(11(4)5)17(28)25-9-7-8-12(25)16(27)23-13(10(2)3)15(26)19(20,21)22/h10-14H,6-9H2,1-5H3,(H,23,27)(H,24,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061026
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H39F2N5O6/c1-18(2)24(26(39)31(32,33)30(43)35-17-21-9-6-7-15-34-21)36-28(41)23-10-8-16-38(23)29(42)25(19(3)4)37-27(40)20-11-13-22(44-5)14-12-20/h6-7,9,11-15,18-19,23-25H,8,10,16-17H2,1-5H3,(H,35,43)(H,36,41)(H,37,40)/t23-,24+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50061055
(CHEMBL107993 | CHEMBL306105 | {(S)-1-[(S)-2-((S)-4...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN Show InChI InChI=1S/C25H36F2N4O5/c1-15(2)19(21(32)25(26,27)14-28)29-22(33)18-11-8-12-31(18)23(34)20(16(3)4)30-24(35)36-13-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-20H,8,11-14,28H2,1-4H3,(H,29,33)(H,30,35)/t18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human leukocyte elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-C
(Homo sapiens (Human)) | BDBM50061024
((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1 | PDB
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| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for human pancreatic Chymotrypsinogen |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | PDB
MMDB
KEGG
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for porcine Pancreatic elastase |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for human leukocyte cathepsin G |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Mast cell carboxypeptidase A
(Homo sapiens (Human)) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | Reactome pathway
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for carboxypeptidase A |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50061024
((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
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| 6.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for human pancreatic trypsin |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-C
(Homo sapiens (Human)) | BDBM50058391
((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...)Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1 | PDB
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| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for human pancreatic Chymotrypsinogen |
J Med Chem 40: 3173-81 (1997)
Article DOI: 10.1021/jm970250z
BindingDB Entry DOI: 10.7270/Q2GT5M85 |
More data for this
Ligand-Target Pair | |
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