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)) | BDBM50119223
(2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/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 | 141 | 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)) | BDBM50119223
(2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/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 | 357 | 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)) | BDBM50119223
(2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/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 | 3.04E+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)) | BDBM50119223
(2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/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 | 3.61E+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)) | BDBM50119223
(2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino...)Show SMILES CC(C)C[C@H](NC(=O)COc1c(Cl)cc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C22H24Cl2N2O6/c1-11(2)7-16(21(29)26-17-9-19(28)32-22(17)30)25-18(27)10-31-20-13-6-4-3-5-12(13)14(23)8-15(20)24/h3-6,8,11,16-17,22,30H,7,9-10H2,1-2H3,(H,25,27)(H,26,29)/t16-,17-,22?/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 | 2.14E+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 | |