BDBM50179332 7-benzyl-2-cyclohexylamino-5,6,7,8-tetrahydro-4H-pyrido[4',3':4,5]thieno[2,3-d][1,3]oxazin-4-one::CHEMBL121607
SMILES: O=c1oc(NC2CCCCC2)nc2sc3CN(Cc4ccccc4)CCc3c12
InChI Key: InChIKey=GOZIDNSQWCCLOP-UHFFFAOYSA-N
Data: 1 KI
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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Cholesterol esterase (Bos taurus) | BDBM50179332 (7-benzyl-2-cyclohexylamino-5,6,7,8-tetrahydro-4H-p...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry | J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4 | |||||||||||
More data for this Ligand-Target Pair |