BDBM42363 4-(3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester::4-[oxo-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester::MLS000044077::SMR000021488::cid_3243888::ethyl 4-(3-benzyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate::ethyl 4-[(3-benzyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazolin-7-yl)carbonyl]piperazine-1-carboxylate::ethyl 4-[[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate
SMILES: CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O
InChI Key: InChIKey=HYBXAFNJZDBIEH-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM42363 (4-(3-benzyl-4-keto-2-thioxo-1H-quinazoline-7-carbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23J3BC8 | |||||||||||
More data for this Ligand-Target Pair |