Found 6 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)) | BDBM50340544
((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...)Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human caspase 3 by fluorometric assay |
Bioorg Med Chem Lett 21: 2192-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50340544
((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...)Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of caspase 7 by fluorometric assay |
Bioorg Med Chem Lett 21: 2192-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50340544
((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...)Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of caspase 6 by fluorometric assay |
Bioorg Med Chem Lett 21: 2192-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50340544
((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...)Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of caspase 1 by fluorometric assay |
Bioorg Med Chem Lett 21: 2192-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50340544
((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...)Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of caspase 8 by fluorometric assay |
Bioorg Med Chem Lett 21: 2192-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50340544
((S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-y...)Show SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C27H23F3N2O6S/c28-10-12-37-20-4-1-17(2-5-20)15-31-24-7-6-21(14-22(24)26(33)27(31)34)39(35,36)32-11-9-19(32)16-38-25-8-3-18(29)13-23(25)30/h1-8,13-14,19H,9-12,15-16H2/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of staurosporine induced activation of caspase 3 activation in human Hela cells assessed as hydrolysis of Z-DEVD-R110 substrate by micropl... |
Bioorg Med Chem Lett 21: 2192-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.015 BindingDB Entry DOI: 10.7270/Q2TB176G |
More data for this Ligand-Target Pair | |