Found 3 hits for monomerid = 50189366 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Caspase-8
(Homo sapiens (Human)) | BDBM50189366
(CHEMBL214044 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O8/c1-30-13-7-6-8-14(31-2)16(13)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-12-11-15(25)32-18(12)27/h6-8,12,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t12-,18?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of caspase8 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50189366
(CHEMBL214044 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O8/c1-30-13-7-6-8-14(31-2)16(13)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-12-11-15(25)32-18(12)27/h6-8,12,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t12-,18?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of caspase3 |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50189366
(CHEMBL214044 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES COc1cccc(OC)c1C(=O)NNC(=O)C1(CCCCC1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C21H27N3O8/c1-30-13-7-6-8-14(31-2)16(13)17(26)23-24-20(29)21(9-4-3-5-10-21)19(28)22-12-11-15(25)32-18(12)27/h6-8,12,18,27H,3-5,9-11H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)/t12-,18?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of ICE |
Bioorg Med Chem Lett 16: 4233-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.076 BindingDB Entry DOI: 10.7270/Q20001RW |
More data for this Ligand-Target Pair | |