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)) | BDBM50119208
(4-Methyl-2-[2-(4-phenoxy-phenoxy)-acetylamino]-pen...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O7/c1-15(2)12-19(23(29)26-20-13-22(28)33-24(20)30)25-21(27)14-31-16-8-10-18(11-9-16)32-17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/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 | 545 | 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)) | BDBM50119208
(4-Methyl-2-[2-(4-phenoxy-phenoxy)-acetylamino]-pen...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O7/c1-15(2)12-19(23(29)26-20-13-22(28)33-24(20)30)25-21(27)14-31-16-8-10-18(11-9-16)32-17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/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 | 2.21E+3 | 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-7
(Homo sapiens (Human)) | BDBM50119208
(4-Methyl-2-[2-(4-phenoxy-phenoxy)-acetylamino]-pen...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O7/c1-15(2)12-19(23(29)26-20-13-22(28)33-24(20)30)25-21(27)14-31-16-8-10-18(11-9-16)32-17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/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 | 6.82E+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-7 |
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)) | BDBM50119208
(4-Methyl-2-[2-(4-phenoxy-phenoxy)-acetylamino]-pen...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O7/c1-15(2)12-19(23(29)26-20-13-22(28)33-24(20)30)25-21(27)14-31-16-8-10-18(11-9-16)32-17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/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 | 9.28E+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-8 |
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)) | BDBM50119208
(4-Methyl-2-[2-(4-phenoxy-phenoxy)-acetylamino]-pen...)Show SMILES CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C24H28N2O7/c1-15(2)12-19(23(29)26-20-13-22(28)33-24(20)30)25-21(27)14-31-16-8-10-18(11-9-16)32-17-6-4-3-5-7-17/h3-11,15,19-20,24,30H,12-14H2,1-2H3,(H,25,27)(H,26,29)/t19-,20-,24?/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 | 2.12E+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 | |