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)) | BDBM10670
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)Show SMILES CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r| Show InChI InChI=1S/C32H40ClFN2O9S/c1-6-43-27-11-10-21(44-15-30(41)45-19(4)5)12-20(27)13-28(38)36-31(18(2)3)32(42)35-25(14-29(39)40)26(37)17-46-16-22-23(33)8-7-9-24(22)34/h7-12,18-19,25,31H,6,13-17H2,1-5H3,(H,35,42)(H,36,38)(H,39,40)/t25-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 94 | 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-7
(Homo sapiens (Human)) | BDBM10670
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)Show SMILES CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r| Show InChI InChI=1S/C32H40ClFN2O9S/c1-6-43-27-11-10-21(44-15-30(41)45-19(4)5)12-20(27)13-28(38)36-31(18(2)3)32(42)35-25(14-29(39)40)26(37)17-46-16-22-23(33)8-7-9-24(22)34/h7-12,18-19,25,31H,6,13-17H2,1-5H3,(H,35,42)(H,36,38)(H,39,40)/t25-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.30E+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)) | BDBM10670
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)Show SMILES CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r| Show InChI InChI=1S/C32H40ClFN2O9S/c1-6-43-27-11-10-21(44-15-30(41)45-19(4)5)12-20(27)13-28(38)36-31(18(2)3)32(42)35-25(14-29(39)40)26(37)17-46-16-22-23(33)8-7-9-24(22)34/h7-12,18-19,25,31H,6,13-17H2,1-5H3,(H,35,42)(H,36,38)(H,39,40)/t25-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.20E+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)) | BDBM10670
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)Show SMILES CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r| Show InChI InChI=1S/C32H40ClFN2O9S/c1-6-43-27-11-10-21(44-15-30(41)45-19(4)5)12-20(27)13-28(38)36-31(18(2)3)32(42)35-25(14-29(39)40)26(37)17-46-16-22-23(33)8-7-9-24(22)34/h7-12,18-19,25,31H,6,13-17H2,1-5H3,(H,35,42)(H,36,38)(H,39,40)/t25-,31-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.30E+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 | |