BDBM50055643 2,2-Dimethyl-3-[(E)-3-methyl-7-((3E,7E)-4,8,12-trimethyl-trideca-3,7,11-trienylsulfanyl)-oct-3-enyl]-oxirane::CHEMBL64906
SMILES: [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#16]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
InChI Key: InChIKey=GEVBRBRQHZECDC-VPTOSAMDSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lanosterol synthase (Rattus norvegicus) | BDBM50055643 (2,2-Dimethyl-3-[(E)-3-methyl-7-((3E,7E)-4,8,12-tri...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Simon Fraser University Curated by ChEMBL | Assay Description Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver | J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Rattus norvegicus) | BDBM50055643 (2,2-Dimethyl-3-[(E)-3-methyl-7-((3E,7E)-4,8,12-tri...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Simon Fraser University Curated by ChEMBL | Assay Description Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from pig liver | J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Homo sapiens (Human)) | BDBM50055643 (2,2-Dimethyl-3-[(E)-3-methyl-7-((3E,7E)-4,8,12-tri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Simon Fraser University Curated by ChEMBL | Assay Description Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from Candida albicans | J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73 | |||||||||||
More data for this Ligand-Target Pair |