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)) | BDBM50257355
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/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 | 28 | 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-7
(Homo sapiens (Human)) | BDBM50257355
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 7 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048 BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257355
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Westfälische Wilhelms-Universität
Curated by ChEMBL
| Assay Description Inhibition of human recombinant caspase 3 |
Bioorg Med Chem 17: 2680-8 (2009)
Article DOI: 10.1016/j.bmc.2009.02.048 BindingDB Entry DOI: 10.7270/Q25Q4W0P |
More data for this Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50257355
((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C18H23FN2O5S/c1-26-12-13-5-4-10-21(13)27(24,25)14-6-7-16-15(11-14)17(22)18(23)20(16)9-3-2-8-19/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/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 | 41 | 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 | |