Found 8 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)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 10 | n/a | n/a | n/a | n/a | 7.0 | 37 |
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 14: 805-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.10.064 BindingDB Entry DOI: 10.7270/Q20P0X88 |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 13 | 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)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 130 | 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 14: 805-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.10.064 BindingDB Entry DOI: 10.7270/Q20P0X88 |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 555 | 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)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 2.90E+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 14: 805-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.10.064 BindingDB Entry DOI: 10.7270/Q20P0X88 |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 3.88E+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 | |
Caspase-1
(Homo sapiens (Human)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 5.90E+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 14: 805-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.10.064 BindingDB Entry DOI: 10.7270/Q20P0X88 |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM10552
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)Show SMILES COc1ccc(cc1CC(=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/C28H34N2O7S/c1-17(2)27(30-25(33)13-21-12-20(18(3)31)10-11-24(21)37-4)28(36)29-22(14-26(34)35)23(32)16-38-15-19-8-6-5-7-9-19/h5-12,17,22,27H,13-16H2,1-4H3,(H,29,36)(H,30,33)(H,34,35)/t22-,27-/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 | 6.19E+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 | |