BDBM10267 2-phenyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide::Isoquinoline-1,3,4-trione 6n::N-(1,2,3,4-Tetrahydro-1,3,4-trioxoisoquinolin-5-yl)-2-phenylacetamide
SMILES: O=C(Cc1ccccc1)Nc1cccc2C(=O)NC(=O)C(=O)c12
InChI Key: InChIKey=CAHWTZXTEVZQAL-UHFFFAOYSA-N
Data: 1 IC50
PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
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Caspase-3 (Homo sapiens (Human)) | BDBM10267 (2-phenyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institutes for Biological Sciences | Assay Description The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The I... | J Med Chem 49: 1613-23 (2006) Article DOI: 10.1021/jm050896o BindingDB Entry DOI: 10.7270/Q23N21MB | |||||||||||
More data for this Ligand-Target Pair |