Found 5 hits in this display 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 |
Caspase-3
(Homo sapiens (Human)) | BDBM50119229
(4-Methyl-2-phenylamino-pentanoic acid (2-hydroxy-5...)Show SMILES CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C16H22N2O4/c1-10(2)8-12(17-11-6-4-3-5-7-11)15(20)18-13-9-14(19)22-16(13)21/h3-7,10,12-13,16-17,21H,8-9H2,1-2H3,(H,18,20)/t12-,13-,16?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against caspase-3 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50119229
(4-Methyl-2-phenylamino-pentanoic acid (2-hydroxy-5...)Show SMILES CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C16H22N2O4/c1-10(2)8-12(17-11-6-4-3-5-7-11)15(20)18-13-9-14(19)22-16(13)21/h3-7,10,12-13,16-17,21H,8-9H2,1-2H3,(H,18,20)/t12-,13-,16?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of caspase-1 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50119229
(4-Methyl-2-phenylamino-pentanoic acid (2-hydroxy-5...)Show SMILES CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C16H22N2O4/c1-10(2)8-12(17-11-6-4-3-5-7-11)15(20)18-13-9-14(19)22-16(13)21/h3-7,10,12-13,16-17,21H,8-9H2,1-2H3,(H,18,20)/t12-,13-,16?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against caspase-8 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50119229
(4-Methyl-2-phenylamino-pentanoic acid (2-hydroxy-5...)Show SMILES CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C16H22N2O4/c1-10(2)8-12(17-11-6-4-3-5-7-11)15(20)18-13-9-14(19)22-16(13)21/h3-7,10,12-13,16-17,21H,8-9H2,1-2H3,(H,18,20)/t12-,13-,16?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against caspase-7 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50119229
(4-Methyl-2-phenylamino-pentanoic acid (2-hydroxy-5...)Show SMILES CC(C)C[C@H](Nc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C16H22N2O4/c1-10(2)8-12(17-11-6-4-3-5-7-11)15(20)18-13-9-14(19)22-16(13)21/h3-7,10,12-13,16-17,21H,8-9H2,1-2H3,(H,18,20)/t12-,13-,16?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Idun Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration required against caspase-6 |
Bioorg Med Chem Lett 12: 2969-71 (2002)
BindingDB Entry DOI: 10.7270/Q289157S |
More data for this Ligand-Target Pair | |