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)) | BDBM50216424
(2-[1-(4-bromo-benzyl)-2-oxo-5-(2-phenoxymethyl-pyr...)Show SMILES Brc1ccc(-[#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 Show InChI InChI=1S/C29H23BrN4O4S/c30-22-10-8-20(9-11-22)18-33-27-13-12-25(15-26(27)28(29(33)35)21(16-31)17-32)39(36,37)34-14-4-5-23(34)19-38-24-6-2-1-3-7-24/h1-3,6-13,15,23H,4-5,14,18-19H2/t23-/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 | 20.1 | 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 recombinant caspase 3 |
J Med Chem 50: 3751-5 (2007)
Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50216424
(2-[1-(4-bromo-benzyl)-2-oxo-5-(2-phenoxymethyl-pyr...)Show SMILES Brc1ccc(-[#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 Show InChI InChI=1S/C29H23BrN4O4S/c30-22-10-8-20(9-11-22)18-33-27-13-12-25(15-26(27)28(29(33)35)21(16-31)17-32)39(36,37)34-14-4-5-23(34)19-38-24-6-2-1-3-7-24/h1-3,6-13,15,23H,4-5,14,18-19H2/t23-/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 | 92.2 | 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 recombinant caspase 7 |
J Med Chem 50: 3751-5 (2007)
Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50216424
(2-[1-(4-bromo-benzyl)-2-oxo-5-(2-phenoxymethyl-pyr...)Show SMILES Brc1ccc(-[#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 Show InChI InChI=1S/C29H23BrN4O4S/c30-22-10-8-20(9-11-22)18-33-27-13-12-25(15-26(27)28(29(33)35)21(16-31)17-32)39(36,37)34-14-4-5-23(34)19-38-24-6-2-1-3-7-24/h1-3,6-13,15,23H,4-5,14,18-19H2/t23-/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 | 840 | 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 recombinant caspase 6 |
J Med Chem 50: 3751-5 (2007)
Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50216424
(2-[1-(4-bromo-benzyl)-2-oxo-5-(2-phenoxymethyl-pyr...)Show SMILES Brc1ccc(-[#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 Show InChI InChI=1S/C29H23BrN4O4S/c30-22-10-8-20(9-11-22)18-33-27-13-12-25(15-26(27)28(29(33)35)21(16-31)17-32)39(36,37)34-14-4-5-23(34)19-38-24-6-2-1-3-7-24/h1-3,6-13,15,23H,4-5,14,18-19H2/t23-/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 | 5.70E+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 recombinant caspase 1 |
J Med Chem 50: 3751-5 (2007)
Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50216424
(2-[1-(4-bromo-benzyl)-2-oxo-5-(2-phenoxymethyl-pyr...)Show SMILES Brc1ccc(-[#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 Show InChI InChI=1S/C29H23BrN4O4S/c30-22-10-8-20(9-11-22)18-33-27-13-12-25(15-26(27)28(29(33)35)21(16-31)17-32)39(36,37)34-14-4-5-23(34)19-38-24-6-2-1-3-7-24/h1-3,6-13,15,23H,4-5,14,18-19H2/t23-/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 human recombinant caspase 8 |
J Med Chem 50: 3751-5 (2007)
Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM |
More data for this Ligand-Target Pair | |