BDBM50055642 2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4-methyl-pent-3-enylsulfanyl)-pentadeca-3,7,11-trienyl]-oxirane::CHEMBL63335
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
InChI Key: InChIKey=SFOVLQYHQCMFTD-HAHXBMLTSA-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) | BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 180 | 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 rat 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) | BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+3 | 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) | BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | 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)) | BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) | 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 | 2.30 | 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 | |||||||||||||
Lanosterol synthase (Rattus norvegicus) | BDBM50055642 (2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 260 | 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 rat 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 |