Found 3 hits for monomerid = 50189364 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)) | BDBM50189364
(CHEMBL211512 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(10-4-1-5-11-23)22(31)26-25-19(28)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20,29H,1,4-5,10-11,13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 2.60E+3 | 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)) | BDBM50189364
(CHEMBL211512 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(10-4-1-5-11-23)22(31)26-25-19(28)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20,29H,1,4-5,10-11,13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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)) | BDBM50189364
(CHEMBL211512 | N'-(1-(((3S)-2-hydroxy-5-oxo-tetrah...)Show SMILES OC1OC(=O)C[C@@H]1NC(=O)C1(CCCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H25N3O6/c27-18-13-17(20(29)32-18)24-21(30)23(10-4-1-5-11-23)22(31)26-25-19(28)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20,29H,1,4-5,10-11,13H2,(H,24,30)(H,25,28)(H,26,31)/t17-,20?/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 | 90 | 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 | |