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)) | BDBM10546
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclo...)Show SMILES CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H28N2O6S/c1-13(2)18(23-20(28)21(29)8-9-21)19(27)22-15(10-17(25)26)16(24)12-30-11-14-6-4-3-5-7-14/h3-7,13,15,18,29H,8-12H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/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 | 160 | 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)) | BDBM10546
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclo...)Show SMILES CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H28N2O6S/c1-13(2)18(23-20(28)21(29)8-9-21)19(27)22-15(10-17(25)26)16(24)12-30-11-14-6-4-3-5-7-14/h3-7,13,15,18,29H,8-12H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/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 | 5.10E+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)) | BDBM10546
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclo...)Show SMILES CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H28N2O6S/c1-13(2)18(23-20(28)21(29)8-9-21)19(27)22-15(10-17(25)26)16(24)12-30-11-14-6-4-3-5-7-14/h3-7,13,15,18,29H,8-12H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/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 | 9.59E+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-8
(Homo sapiens (Human)) | BDBM10546
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[(1-hydroxycyclo...)Show SMILES CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C21H28N2O6S/c1-13(2)18(23-20(28)21(29)8-9-21)19(27)22-15(10-17(25)26)16(24)12-30-11-14-6-4-3-5-7-14/h3-7,13,15,18,29H,8-12H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t15-,18-/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 | 1.23E+4 | 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 | |