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-7
(Homo sapiens (Human)) | BDBM50431513
(CHEMBL2348693)Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C19H25FN2O5S/c1-27-12-8-14-5-4-11-22(14)28(25,26)15-6-7-17-16(13-15)18(23)19(24)21(17)10-3-2-9-20/h6-7,13-14H,2-5,8-12H2,1H3/t14-/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 | 12 | 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 assessed as decrease in AMC release using Ac-Asp-Glu-Val-Asp-AMC as substrate preincubated with enzyme for ... |
Bioorg Med Chem 21: 2025-36 (2013)
Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50431513
(CHEMBL2348693)Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C19H25FN2O5S/c1-27-12-8-14-5-4-11-22(14)28(25,26)15-6-7-17-16(13-15)18(23)19(24)21(17)10-3-2-9-20/h6-7,13-14H,2-5,8-12H2,1H3/t14-/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 | 92 | 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 assessed as decrease in AMC release using Ac-Asp-Glu-Val-Asp-AMC as substrate preincubated with enzyme for ... |
Bioorg Med Chem 21: 2025-36 (2013)
Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50431513
(CHEMBL2348693)Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C19H25FN2O5S/c1-27-12-8-14-5-4-11-22(14)28(25,26)15-6-7-17-16(13-15)18(23)19(24)21(17)10-3-2-9-20/h6-7,13-14H,2-5,8-12H2,1H3/t14-/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 | 1.03E+3 | 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 6 assessed as decrease in AMC release using Ac-Val-Glu-Ile-Asp-AMC as substrate preincubated with enzyme for ... |
Bioorg Med Chem 21: 2025-36 (2013)
Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50431513
(CHEMBL2348693)Show SMILES COCC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C19H25FN2O5S/c1-27-12-8-14-5-4-11-22(14)28(25,26)15-6-7-17-16(13-15)18(23)19(24)21(17)10-3-2-9-20/h6-7,13-14H,2-5,8-12H2,1H3/t14-/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 | 7.34E+3 | 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 1 assessed as decrease in AMC release using Ac-Tyr-Val-Ala-Asp-AMC as substrate preincubated with enzyme for ... |
Bioorg Med Chem 21: 2025-36 (2013)
Article DOI: 10.1016/j.bmc.2013.01.011 BindingDB Entry DOI: 10.7270/Q25D8T5H |
More data for this Ligand-Target Pair | |