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-1
(Homo sapiens (Human)) | BDBM50119248
(4-Methyl-2-(3-naphthalen-2-yl-3-oxo-propionylamino...)Show SMILES CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H26N2O6/c1-13(2)9-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,23,30H,9,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/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 | 543 | 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-3
(Homo sapiens (Human)) | BDBM50119248
(4-Methyl-2-(3-naphthalen-2-yl-3-oxo-propionylamino...)Show SMILES CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H26N2O6/c1-13(2)9-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,23,30H,9,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/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 | 1.42E+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-8
(Homo sapiens (Human)) | BDBM50119248
(4-Methyl-2-(3-naphthalen-2-yl-3-oxo-propionylamino...)Show SMILES CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H26N2O6/c1-13(2)9-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,23,30H,9,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/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 | 5.23E+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-7
(Homo sapiens (Human)) | BDBM50119248
(4-Methyl-2-(3-naphthalen-2-yl-3-oxo-propionylamino...)Show SMILES CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H26N2O6/c1-13(2)9-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,23,30H,9,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/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 | 7.43E+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-6
(Homo sapiens (Human)) | BDBM50119248
(4-Methyl-2-(3-naphthalen-2-yl-3-oxo-propionylamino...)Show SMILES CC(C)C[C@H](NC(=O)CC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H26N2O6/c1-13(2)9-17(22(29)25-18-11-21(28)31-23(18)30)24-20(27)12-19(26)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18,23,30H,9,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-,18-,23?/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 | 1.03E+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 | |