Found 2 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)) | BDBM50435966
(CHEMBL2391978)Show SMILES COC[C@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C20H27FN2O6S/c1-28-12-14-5-6-15(13-29-2)23(14)30(26,27)16-7-8-18-17(11-16)19(24)20(25)22(18)10-4-3-9-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3/t14-,15+ | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase-3 using Ac-DEVD-AMC as substrate assessed as accumulation of AMC preincubated for 10 mins followed by substra... |
Eur J Med Chem 64: 562-78 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.011 BindingDB Entry DOI: 10.7270/Q27W6DKM |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50435966
(CHEMBL2391978)Show SMILES COC[C@H]1CC[C@@H](COC)N1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C20H27FN2O6S/c1-28-12-14-5-6-15(13-29-2)23(14)30(26,27)16-7-8-18-17(11-16)19(24)20(25)22(18)10-4-3-9-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3/t14-,15+ | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase-7 using Ac-DEVD-AMC as substrate assessed as accumulation of AMC preincubated for 10 mins followed by substra... |
Eur J Med Chem 64: 562-78 (2013)
Article DOI: 10.1016/j.ejmech.2013.04.011 BindingDB Entry DOI: 10.7270/Q27W6DKM |
More data for this Ligand-Target Pair | |