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)) | BDBM50119239
(4-Methyl-2-[2-(2-methyl-naphthalen-1-yloxy)-acetyl...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-13(2)10-17(22(28)25-18-11-20(27)31-23(18)29)24-19(26)12-30-21-14(3)8-9-15-6-4-5-7-16(15)21/h4-9,13,17-18,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/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 | 375 | 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)) | BDBM50119239
(4-Methyl-2-[2-(2-methyl-naphthalen-1-yloxy)-acetyl...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-13(2)10-17(22(28)25-18-11-20(27)31-23(18)29)24-19(26)12-30-21-14(3)8-9-15-6-4-5-7-16(15)21/h4-9,13,17-18,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/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 | 843 | 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)) | BDBM50119239
(4-Methyl-2-[2-(2-methyl-naphthalen-1-yloxy)-acetyl...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-13(2)10-17(22(28)25-18-11-20(27)31-23(18)29)24-19(26)12-30-21-14(3)8-9-15-6-4-5-7-16(15)21/h4-9,13,17-18,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/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 | 4.14E+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)) | BDBM50119239
(4-Methyl-2-[2-(2-methyl-naphthalen-1-yloxy)-acetyl...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-13(2)10-17(22(28)25-18-11-20(27)31-23(18)29)24-19(26)12-30-21-14(3)8-9-15-6-4-5-7-16(15)21/h4-9,13,17-18,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/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 | 4.16E+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)) | BDBM50119239
(4-Methyl-2-[2-(2-methyl-naphthalen-1-yloxy)-acetyl...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(C)ccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H28N2O6/c1-13(2)10-17(22(28)25-18-11-20(27)31-23(18)29)24-19(26)12-30-21-14(3)8-9-15-6-4-5-7-16(15)21/h4-9,13,17-18,23,29H,10-12H2,1-3H3,(H,24,26)(H,25,28)/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 | 3.24E+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 | |