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)) | BDBM50119249
(4-Methyl-2-(3-naphthalen-1-yl-propionylamino)-pent...)Show SMILES CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5/c1-14(2)12-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)11-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,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 | 1.59E+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)) | BDBM50119249
(4-Methyl-2-(3-naphthalen-1-yl-propionylamino)-pent...)Show SMILES CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5/c1-14(2)12-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)11-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,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 | 1.86E+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-6
(Homo sapiens (Human)) | BDBM50119249
(4-Methyl-2-(3-naphthalen-1-yl-propionylamino)-pent...)Show SMILES CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5/c1-14(2)12-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)11-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,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 | 4.18E+3 | 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 | |
Caspase-7
(Homo sapiens (Human)) | BDBM50119249
(4-Methyl-2-(3-naphthalen-1-yl-propionylamino)-pent...)Show SMILES CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5/c1-14(2)12-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)11-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,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 | 8.77E+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)) | BDBM50119249
(4-Methyl-2-(3-naphthalen-1-yl-propionylamino)-pent...)Show SMILES CC(C)C[C@H](NC(=O)CCc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O5/c1-14(2)12-18(22(28)25-19-13-21(27)30-23(19)29)24-20(26)11-10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,14,18-19,23,29H,10-13H2,1-2H3,(H,24,26)(H,25,28)/t18-,19-,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 | 1.22E+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 | |