Found 4 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)) | BDBM10553
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM10553
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM10553
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 635 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM10553
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r| Show InChI InChI=1S/C28H34N2O8S/c1-16(2)25(30-28(37)26(35)20-12-19(17(3)31)10-11-23(20)38-4)27(36)29-21(13-24(33)34)22(32)15-39-14-18-8-6-5-7-9-18/h5-12,16,21,25-26,35H,13-15H2,1-4H3,(H,29,36)(H,30,37)(H,33,34)/t21-,25-,26?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada & Co.
| Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof... |
Bioorg Med Chem Lett 15: 3886-90 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.116 BindingDB Entry DOI: 10.7270/Q2959FS7 |
More data for this Ligand-Target Pair | |