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-7
(Homo sapiens (Human)) | BDBM50435969
(CHEMBL2391975)Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC(F)(F)C[C@H]1COC |r| Show InChI InChI=1S/C18H22F2N2O5S/c1-3-4-7-21-15-6-5-13(8-14(15)16(23)17(21)24)28(25,26)22-11-18(19,20)9-12(22)10-27-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3/t12-/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 | 178 | 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 | |
Caspase-3
(Homo sapiens (Human)) | BDBM50435969
(CHEMBL2391975)Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC(F)(F)C[C@H]1COC |r| Show InChI InChI=1S/C18H22F2N2O5S/c1-3-4-7-21-15-6-5-13(8-14(15)16(23)17(21)24)28(25,26)22-11-18(19,20)9-12(22)10-27-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3/t12-/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 | 362 | 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 | |