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)) | BDBM50031609
(CHEMBL3359201)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r| Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/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 | 6.62E+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 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-3
(Homo sapiens (Human)) | BDBM50031609
(CHEMBL3359201)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r| Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/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 | 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 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)) | BDBM50031609
(CHEMBL3359201)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r| Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/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 | 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 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 | |
Caspase-1
(Homo sapiens (Human)) | BDBM50031609
(CHEMBL3359201)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1cc2C(=O)C(=O)Nc2c(F)c1 |r| Show InChI InChI=1S/C14H15FN2O5S/c1-22-7-8-3-2-4-17(8)23(20,21)9-5-10-12(11(15)6-9)16-14(19)13(10)18/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)/t8-/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 | 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 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 | |