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)) | BDBM50340537
((S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/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 | 6 | 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)) | BDBM50340537
((S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/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 | 50 | 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)) | BDBM50340537
((S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/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 | 450 | 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)) | BDBM50340537
((S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/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 | >3.60E+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)) | BDBM50340537
((S)-2-(1-(4-methoxybenzyl)-2-oxo-5-(2-((pyridin-3-...)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H23N5O5S/c1-37-22-6-4-19(5-7-22)17-32-26-9-8-24(13-25(26)27(28(32)34)20(14-29)15-30)39(35,36)33-12-10-21(33)18-38-23-3-2-11-31-16-23/h2-9,11,13,16,21H,10,12,17-18H2,1H3/t21-/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 | |