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-3
(Homo sapiens (Human)) | BDBM50257353
((S)-1-(2-Fluoroethyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C16H19FN2O5S/c1-24-10-11-3-2-7-19(11)25(22,23)12-4-5-14-13(9-12)15(20)16(21)18(14)8-6-17/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/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 | 1.84E+3 | 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-7
(Homo sapiens (Human)) | BDBM50257353
((S)-1-(2-Fluoroethyl)-5-[1-(2-methoxymethylpyrroli...)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCF)C(=O)C(=O)c2c1 |r| Show InChI InChI=1S/C16H19FN2O5S/c1-24-10-11-3-2-7-19(11)25(22,23)12-4-5-14-13(9-12)15(20)16(21)18(14)8-6-17/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/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 | 2.94E+3 | 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 | |