BDBM50102102 CHEMBL3357971
SMILES: CC(C)(C)c1ccc(COc2ccc(\C=N\NC(=O)Nc3nc4ccc(cc4s3)N3CCOCC3)c(O)c2)cc1
InChI Key: InChIKey=KEBCSFPPGRQIGF-FDAWAROLSA-N
Data: 1 EC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-3 (Homo sapiens (Human)) | BDBM50102102 (CHEMBL3357971) | 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 | n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a |
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) Ministry of Education Curated by ChEMBL | Assay Description Induction of procaspase 3 activity (unknown origin) using Ac-DEVD-pNa as substrate after 2 hrs | Eur J Med Chem 86: 257-69 (2014) Article DOI: 10.1016/j.ejmech.2014.08.058 BindingDB Entry DOI: 10.7270/Q2ZC84N9 | |||||||||||
More data for this Ligand-Target Pair |