Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50029113 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)) | BDBM50281590
(CHEMBL150384 | N-(1-Benzyl-3,3,3-trifluoro-2-oxo-p...)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C35H38F8N4O6/c1-18(2)25(28(49)33(36,37)35(41,42)43)45-31(52)24-11-8-16-47(24)32(53)26(19(3)4)46-30(51)22-14-12-21(13-15-22)29(50)44-23(27(48)34(38,39)40)17-20-9-6-5-7-10-20/h5-7,9-10,12-15,18-19,23-26H,8,11,16-17H2,1-4H3,(H,44,50)(H,45,52)(H,46,51)/t23?,24-,25?,26-/m0/s1 | 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
The compound was tested for its potency to inhibit human neutrophil elastase activity |
Bioorg Med Chem Lett 3: 525-530 (1993)
Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50281589
(5N-(1-benzyl-3,3,3-trifluoro-2-oxopropyl)-1-[3-met...)Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C45H54F8N6O8/c1-23(2)32(36(61)43(46,47)45(51,52)53)55-40(65)31-15-11-21-59(31)42(67)34(25(5)6)57-38(63)28-18-16-27(17-19-28)37(62)56-33(24(3)4)41(66)58-20-10-14-30(58)39(64)54-29(35(60)44(48,49)50)22-26-12-8-7-9-13-26/h7-9,12-13,16-19,23-25,29-34H,10-11,14-15,20-22H2,1-6H3,(H,54,64)(H,55,65)(H,56,62)(H,57,63)/t29?,30-,31+,32?,33-,34+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its potency to inhibit human neutrophil elastase activity |
Bioorg Med Chem Lett 3: 525-530 (1993)
Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50281591
(CHEMBL345477 | {(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-p...)Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C22H34F5N3O5/c1-11(2)14(16(31)21(23,24)22(25,26)27)28-17(32)13-9-8-10-30(13)18(33)15(12(3)4)29-19(34)35-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,28,32)(H,29,34)/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
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its potency to inhibit human neutrophil elastase activity |
Bioorg Med Chem Lett 3: 525-530 (1993)
Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF |
More data for this
Ligand-Target Pair | |
Chymotrypsinogen A
(Bos taurus (bovine)) | BDBM50281590
(CHEMBL150384 | N-(1-Benzyl-3,3,3-trifluoro-2-oxo-p...)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C35H38F8N4O6/c1-18(2)25(28(49)33(36,37)35(41,42)43)45-31(52)24-11-8-16-47(24)32(53)26(19(3)4)46-30(51)22-14-12-21(13-15-22)29(50)44-23(27(48)34(38,39)40)17-20-9-6-5-7-10-20/h5-7,9-10,12-15,18-19,23-26H,8,11,16-17H2,1-4H3,(H,44,50)(H,45,52)(H,46,51)/t23?,24-,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its potency to inhibit alpha-Chymotrypsin |
Bioorg Med Chem Lett 3: 525-530 (1993)
Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50068898
(BDBM50281588 | CHEMBL147013 | {1-[2-(1-Benzyl-3,3,...)Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(30-23(35)36-24(3,4)5)22(34)31-13-9-12-18(31)21(33)29-17(20(32)25(26,27)28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,33)(H,30,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its potency to inhibit human Cathepsin G |
Bioorg Med Chem Lett 3: 525-530 (1993)
Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50281589
(5N-(1-benzyl-3,3,3-trifluoro-2-oxopropyl)-1-[3-met...)Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C45H54F8N6O8/c1-23(2)32(36(61)43(46,47)45(51,52)53)55-40(65)31-15-11-21-59(31)42(67)34(25(5)6)57-38(63)28-18-16-27(17-19-28)37(62)56-33(24(3)4)41(66)58-20-10-14-30(58)39(64)54-29(35(60)44(48,49)50)22-26-12-8-7-9-13-26/h7-9,12-13,16-19,23-25,29-34H,10-11,14-15,20-22H2,1-6H3,(H,54,64)(H,55,65)(H,56,62)(H,57,63)/t29?,30-,31+,32?,33-,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its potency to inhibit human Cathepsin G |
Bioorg Med Chem Lett 3: 525-530 (1993)
Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF |
More data for this
Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50281590
(CHEMBL150384 | N-(1-Benzyl-3,3,3-trifluoro-2-oxo-p...)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C35H38F8N4O6/c1-18(2)25(28(49)33(36,37)35(41,42)43)45-31(52)24-11-8-16-47(24)32(53)26(19(3)4)46-30(51)22-14-12-21(13-15-22)29(50)44-23(27(48)34(38,39)40)17-20-9-6-5-7-10-20/h5-7,9-10,12-15,18-19,23-26H,8,11,16-17H2,1-4H3,(H,44,50)(H,45,52)(H,46,51)/t23?,24-,25?,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its potency to inhibit human Cathepsin G |
Bioorg Med Chem Lett 3: 525-530 (1993)
Article DOI: 10.1016/S0960-894X(01)81220-8
BindingDB Entry DOI: 10.7270/Q23778NF |
More data for this
Ligand-Target Pair | |
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