Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50026883 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 |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50244952
((S)-2-ethyl-N-(1-oxo-3-phenylpropan-2-yl)-2-(3-phe...)Show SMILES CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C24H30N2O3/c1-3-24(4-2,26-22(28)16-15-19-11-7-5-8-12-19)23(29)25-21(18-27)17-20-13-9-6-10-14-20/h5-14,18,21H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of pig erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 4806-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50069792
((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r| Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
Bioorg Med Chem Lett 18: 4806-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50069792
((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r| Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of pig erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 4806-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50244951
((S)-N-(1-oxo-3-phenylpropan-2-yl)-1-(3-phenylpropa...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O3/c27-18-21(17-20-11-5-2-6-12-20)25-23(29)24(15-7-8-16-24)26-22(28)14-13-19-9-3-1-4-10-19/h1-6,9-12,18,21H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
Bioorg Med Chem Lett 18: 4806-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2 |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Sus scrofa (pig)) | BDBM50244951
((S)-N-(1-oxo-3-phenylpropan-2-yl)-1-(3-phenylpropa...)Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O3/c27-18-21(17-20-11-5-2-6-12-20)25-23(29)24(15-7-8-16-24)26-22(28)14-13-19-9-3-1-4-10-19/h1-6,9-12,18,21H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of pig erythrocyte mu-calpain |
Bioorg Med Chem Lett 18: 4806-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50244952
((S)-2-ethyl-N-(1-oxo-3-phenylpropan-2-yl)-2-(3-phe...)Show SMILES CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r| Show InChI InChI=1S/C24H30N2O3/c1-3-24(4-2,26-22(28)16-15-19-11-7-5-8-12-19)23(29)25-21(18-27)17-20-13-9-6-10-14-20/h5-14,18,21H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Inhibition of human liver cathepsin B |
Bioorg Med Chem Lett 18: 4806-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2 |
More data for this Ligand-Target Pair | |