BindingDB PrimarySearch

BDBM50055641 2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6-methylhept-5-en-2-ylthio)tetradeca-3,7,11-trienyl)oxirane::3-[(3E,7E,11E)-14-(1,5-Dimethyl-hex-4-enylsulfanyl)-3,7,12-trimethyl-tetradeca-3,7,11-trienyl]-2,2-dimethyl-oxirane::CHEMBL64905

SMILES: [#6]-[#6](-[#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]1-[#8]C1([#6])[#6]

InChI Key: InChIKey=CRZHANPLXOIADK-YNWRIEOZSA-N

Data: 2 KI 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50055641
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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
Simon Fraser University Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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
Simon Fraser University Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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
Simon Fraser University Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of rat OSC				Bioorg Med Chem 15: 4674-99 (2007) Article DOI: 10.1016/j.bmc.2007.04.031 BindingDB Entry DOI: 10.7270/Q24J0FZ9
Sinhgad College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Candida albicans (strain SC5314 / ATCC MYA-2876) (...)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES Show InChI	KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Sinhgad College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of Candida albicans OSC				Bioorg Med Chem 15: 4674-99 (2007) Article DOI: 10.1016/j.bmc.2007.04.031 BindingDB Entry DOI: 10.7270/Q24J0FZ9
Sinhgad College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
Simon Fraser University Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50055641 (2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...) Show SMILES Show InChI	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	0.220	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
Simon Fraser University Curated by ChEMBL					More data for this Ligand-Target Pair