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)) | BDBM50160958
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50160958
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Caspase-8
(Homo sapiens (Human)) | BDBM50160958
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50160958
((S)-5-Benzylsulfanyl-3-{2-[3-(2-methoxy-ethylamino...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O Show InChI InChI=1S/C23H30N4O6S/c1-3-18(27-11-9-24-21(23(27)32)25-10-12-33-2)22(31)26-17(13-20(29)30)19(28)15-34-14-16-7-5-4-6-8-16/h4-9,11,17-18H,3,10,12-15H2,1-2H3,(H,24,25)(H,26,31)(H,29,30)/t17-,18?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells |
Bioorg Med Chem Lett 15: 1173-80 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS |
More data for this Ligand-Target Pair | |