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)) | BDBM50340538
((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...)Show SMILES F[#6]-[#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]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/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 | 18.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of 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)) | BDBM50340538
((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...)Show SMILES F[#6]-[#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]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/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 | 96.3 | 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 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)) | BDBM50340538
((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...)Show SMILES F[#6]-[#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]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/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 | 927 | 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)) | BDBM50340538
((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...)Show SMILES F[#6]-[#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]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/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 | >1.00E+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)) | BDBM50340538
((S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-(ph...)Show SMILES F[#6]-[#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]-[#6@H]-2-[#6]-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C31H27FN4O5S/c32-14-16-40-26-10-8-22(9-11-26)20-35-29-13-12-27(17-28(29)30(31(35)37)23(18-33)19-34)42(38,39)36-15-4-5-24(36)21-41-25-6-2-1-3-7-25/h1-3,6-13,17,24H,4-5,14-16,20-21H2/t24-/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 | |