BDBM50130772 Allyl-{6-[3-(4-bromo-phenyl)-1,1-dioxo-1H-1lambda*6*-benzo[d]isothiazol-6-yloxy]-hexyl}-methyl-amine; fumarate::CHEMBL324034
SMILES: CN(CCCCCCOc1ccc2C(=NS(=O)(=O)c2c1)c1ccc(Br)cc1)CC=C
InChI Key: InChIKey=IIRFIXAQIWYYKJ-UHFFFAOYSA-N
Data: 1 IC50
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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Lanosterol synthase (Homo sapiens (Human)) | BDBM50130772 (Allyl-{6-[3-(4-bromo-phenyl)-1,1-dioxo-1H-1lambda*...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase. | J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM | |||||||||||
More data for this Ligand-Target Pair |