Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 255.3 BDBM50133286Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lanosterol synthase (Homo sapiens (Human))	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. cruzi				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in rat				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50133286 (CHEMBL132091 | [3-(Biphenyl-4-yloxy)-propyl]-dimet...) Show SMILES CN(C)CCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H21NO/c1-18(2)13-6-14-19-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii				J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV
					More data for this Ligand-Target Pair