Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50028475 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 |
|---|
Cathepsin B
(Homo sapiens (Human)) | BDBM50257017
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CN(C)C(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20| Show InChI InChI=1S/C32H29ClF3N5O5/c1-40(2)28(43)13-8-16-37-27(42)18-41-26-12-7-6-11-22(26)29(20-9-4-3-5-10-20)38-25(30(41)44)19-46-31(45)39-24-15-14-21(33)17-23(24)32(34,35)36/h3-15,17,25H,16,18-19H2,1-2H3,(H,37,42)(H,39,45)/b13-8+/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257017
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CN(C)C(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20| Show InChI InChI=1S/C32H29ClF3N5O5/c1-40(2)28(43)13-8-16-37-27(42)18-41-26-12-7-6-11-22(26)29(20-9-4-3-5-10-20)38-25(30(41)44)19-46-31(45)39-24-15-14-21(33)17-23(24)32(34,35)36/h3-15,17,25H,16,18-19H2,1-2H3,(H,37,42)(H,39,45)/b13-8+/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin L (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257015
((4S)-4-{2-[3-(4-Chloro-2-trifluoromethyl-phenylcar...)Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:28| Show InChI InChI=1S/C39H34ClF3N4O6/c1-52-35(49)21-19-28(18-16-25-10-4-2-5-11-25)44-34(48)23-47-33-15-9-8-14-29(33)36(26-12-6-3-7-13-26)45-32(37(47)50)24-53-38(51)46-31-20-17-27(40)22-30(31)39(41,42)43/h2-15,17,19-22,28,32H,16,18,23-24H2,1H3,(H,44,48)(H,46,51)/b21-19+/t28-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin L (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257019
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C#N)C1=O |r,t:18| Show InChI InChI=1S/C30H23ClF3N5O4/c31-20-12-13-23(22(16-20)30(32,33)34)38-29(42)43-18-24-28(41)39(17-26(40)36-15-7-6-14-35)25-11-5-4-10-21(25)27(37-24)19-8-2-1-3-9-19/h1-13,16,24H,15,17-18H2,(H,36,40)(H,38,42)/b7-6+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin L (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257016
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CC(=O)CC=CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,w:5.5,c:18| Show InChI InChI=1S/C31H26ClF3N4O5/c1-19(40)8-7-15-36-27(41)17-39-26-12-6-5-11-22(26)28(20-9-3-2-4-10-20)37-25(29(39)42)18-44-30(43)38-24-14-13-21(32)16-23(24)31(33,34)35/h2-7,9-16,25H,8,17-18H2,1H3,(H,36,41)(H,38,43)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin L (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50257016
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CC(=O)CC=CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,w:5.5,c:18| Show InChI InChI=1S/C31H26ClF3N4O5/c1-19(40)8-7-15-36-27(41)17-39-26-12-6-5-11-22(26)28(20-9-3-2-4-10-20)37-25(29(39)42)18-44-30(43)38-24-14-13-21(32)16-23(24)31(33,34)35/h2-7,9-16,25H,8,17-18H2,1H3,(H,36,41)(H,38,43)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50257014
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CN(C)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:29| Show InChI InChI=1S/C40H37ClF3N5O5/c1-48(2)36(51)22-20-29(19-17-26-11-5-3-6-12-26)45-35(50)24-49-34-16-10-9-15-30(34)37(27-13-7-4-8-14-27)46-33(38(49)52)25-54-39(53)47-32-21-18-28(41)23-31(32)40(42,43)44/h3-16,18,20-23,29,33H,17,19,24-25H2,1-2H3,(H,45,50)(H,47,53)/b22-20+/t29-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50257018
((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H26ClF3N4O6/c1-44-27(41)12-7-15-36-26(40)17-39-25-11-6-5-10-21(25)28(19-8-3-2-4-9-19)37-24(29(39)42)18-45-30(43)38-23-14-13-20(32)16-22(23)31(33,34)35/h2-14,16,24H,15,17-18H2,1H3,(H,36,40)(H,38,43)/b12-7+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257014
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CN(C)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:29| Show InChI InChI=1S/C40H37ClF3N5O5/c1-48(2)36(51)22-20-29(19-17-26-11-5-3-6-12-26)45-35(50)24-49-34-16-10-9-15-30(34)37(27-13-7-4-8-14-27)46-33(38(49)52)25-54-39(53)47-32-21-18-28(41)23-31(32)40(42,43)44/h3-16,18,20-23,29,33H,17,19,24-25H2,1-2H3,(H,45,50)(H,47,53)/b22-20+/t29-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin L (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257013
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CC(=O)CC=C(CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,w:4.3,c:27| Show InChI InChI=1S/C39H34ClF3N4O5/c1-25(48)16-19-29(20-17-26-10-4-2-5-11-26)44-35(49)23-47-34-15-9-8-14-30(34)36(27-12-6-3-7-13-27)45-33(37(47)50)24-52-38(51)46-32-21-18-28(40)22-31(32)39(41,42)43/h2-15,18-19,21-22,33H,16-17,20,23-24H2,1H3,(H,44,49)(H,46,51)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin L (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50257018
((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...)Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:19| Show InChI InChI=1S/C31H26ClF3N4O6/c1-44-27(41)12-7-15-36-26(40)17-39-25-11-6-5-10-21(25)28(19-8-3-2-4-9-19)37-24(29(39)42)18-45-30(43)38-23-14-13-20(32)16-22(23)31(33,34)35/h2-14,16,24H,15,17-18H2,1H3,(H,36,40)(H,38,43)/b12-7+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin L (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50257013
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES CC(=O)CC=C(CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,w:4.3,c:27| Show InChI InChI=1S/C39H34ClF3N4O5/c1-25(48)16-19-29(20-17-26-10-4-2-5-11-26)44-35(49)23-47-34-15-9-8-14-30(34)36(27-12-6-3-7-13-27)45-33(37(47)50)24-52-38(51)46-32-21-18-28(40)22-31(32)39(41,42)43/h2-15,18-19,21-22,33H,16-17,20,23-24H2,1H3,(H,44,49)(H,46,51)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50257019
((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...)Show SMILES FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NC\C=C\C#N)C1=O |r,t:18| Show InChI InChI=1S/C30H23ClF3N5O4/c31-20-12-13-23(22(16-20)30(32,33)34)38-29(42)43-18-24-28(41)39(17-26(40)36-15-7-6-14-35)25-11-5-4-10-21(25)27(37-24)19-8-2-1-3-9-19/h1-13,16,24H,15,17-18H2,(H,36,40)(H,38,42)/b7-6+/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50257015
((4S)-4-{2-[3-(4-Chloro-2-trifluoromethyl-phenylcar...)Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:28| Show InChI InChI=1S/C39H34ClF3N4O6/c1-52-35(49)21-19-28(18-16-25-10-4-2-5-11-25)44-34(48)23-47-33-15-9-8-14-29(33)36(26-12-6-3-7-13-26)45-32(37(47)50)24-53-38(51)46-31-20-17-27(40)22-30(31)39(41,42)43/h2-15,17,19-22,28,32H,16,18,23-24H2,1H3,(H,44,48)(H,46,51)/b21-19+/t28-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin B (unknown origin) |
J Med Chem 52: 2157-60 (2009)
Article DOI: 10.1021/jm900047j
BindingDB Entry DOI: 10.7270/Q2BG2NX8 |
More data for this
Ligand-Target Pair | |
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