Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50034797 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)) | BDBM50284782
(CHEMBL418606 | Z-Phe-Leu-H)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C23H28N2O5/c1-16(2)13-20(22(27)28)24-21(26)19(14-17-9-5-3-6-10-17)25-23(29)30-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50284778
(CHEMBL430922 | Z-Phe-Ala-H)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50284780
(CHEMBL36801 | Z-Phe-Phe-H)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50284777
(CHEMBL36969 | Z-Phe-Tyr(Bu)-H)Show SMILES CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C30H34N2O6/c1-2-3-18-37-25-16-14-23(15-17-25)20-27(29(34)35)31-28(33)26(19-22-10-6-4-7-11-22)32-30(36)38-21-24-12-8-5-9-13-24/h4-17,26-27H,2-3,18-21H2,1H3,(H,31,33)(H,32,36)(H,34,35)/t26-,27-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against calpain 2 |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50284779
(CHEMBL36146 | Z-Phe-Tyr-H)Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O6/c29-21-13-11-19(12-14-21)16-23(25(31)32)27-24(30)22(15-18-7-3-1-4-8-18)28-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,29H,15-17H2,(H,27,30)(H,28,33)(H,31,32)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50284776
(CHEMBL36904 | Z-Phe-Tyr(Me)-H)Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C27H28N2O6/c1-34-22-14-12-20(13-15-22)17-24(26(31)32)28-25(30)23(16-19-8-4-2-5-9-19)29-27(33)35-18-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50284780
(CHEMBL36801 | Z-Phe-Phe-H)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against Calpain 2 |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50284776
(CHEMBL36904 | Z-Phe-Tyr(Me)-H)Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C27H28N2O6/c1-34-22-14-12-20(13-15-22)17-24(26(31)32)28-25(30)23(16-19-8-4-2-5-9-19)29-27(33)35-18-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t23-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against calpain 2 |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50213272
(CHEBI:6426 | Leupeptin)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r| Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Calpain-2 catalytic subunit
(Homo sapiens (Human)) | BDBM50284779
(CHEMBL36146 | Z-Phe-Tyr-H)Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C26H26N2O6/c29-21-13-11-19(12-14-21)16-23(25(31)32)27-24(30)22(15-18-7-3-1-4-8-18)28-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,29H,15-17H2,(H,27,30)(H,28,33)(H,31,32)/t22-,23-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against calpain 2 |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50284777
(CHEMBL36969 | Z-Phe-Tyr(Bu)-H)Show SMILES CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C30H34N2O6/c1-2-3-18-37-25-16-14-23(15-17-25)20-27(29(34)35)31-28(33)26(19-22-10-6-4-7-11-22)32-30(36)38-21-24-12-8-5-9-13-24/h4-17,26-27H,2-3,18-21H2,1H3,(H,31,33)(H,32,36)(H,34,35)/t26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 836 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cathepsin B |
Bioorg Med Chem Lett 5: 1501-1504 (1995)
Article DOI: 10.1016/0960-894X(95)00236-M
BindingDB Entry DOI: 10.7270/Q23N23V9 |
More data for this
Ligand-Target Pair | |
Search and Browse
