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-3
(Homo sapiens (Human)) | BDBM50031610
(CHEMBL3359202)Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/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 | 2.90 | 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 substrate assessed as accumulation of cleaved fluorogenic product |
J Med Chem 57: 9383-95 (2014)
Article DOI: 10.1021/jm500718e BindingDB Entry DOI: 10.7270/Q2474CGM |
More data for this Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50031610
(CHEMBL3359202)Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/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 | 9.70 | 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 substrate assessed as accumulation of cleaved fluorogenic product |
J Med Chem 57: 9383-95 (2014)
Article DOI: 10.1021/jm500718e BindingDB Entry DOI: 10.7270/Q2474CGM |
More data for this Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50031610
(CHEMBL3359202)Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/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 | 9.97E+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 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product |
J Med Chem 57: 9383-95 (2014)
Article DOI: 10.1021/jm500718e BindingDB Entry DOI: 10.7270/Q2474CGM |
More data for this Ligand-Target Pair | |
Caspase-6
(Homo sapiens (Human)) | BDBM50031610
(CHEMBL3359202)Show SMILES CCCCN1C(=O)C(=O)c2cc(cc(F)c12)S(=O)(=O)N1CCC[C@H]1COC |r| Show InChI InChI=1S/C18H23FN2O5S/c1-3-4-7-20-16-14(17(22)18(20)23)9-13(10-15(16)19)27(24,25)21-8-5-6-12(21)11-26-2/h9-10,12H,3-8,11H2,1-2H3/t12-/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 | 7.89E+4 | 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 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product |
J Med Chem 57: 9383-95 (2014)
Article DOI: 10.1021/jm500718e BindingDB Entry DOI: 10.7270/Q2474CGM |
More data for this Ligand-Target Pair | |