Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 309.5 BDBM50195962

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

Found 3 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 (Pneumocystis carinii)	BDBM50195962 ((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...) Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale A. Avogadro Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii oxidosqualene cyclase				Bioorg Med Chem Lett 17: 220-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.058 BindingDB Entry DOI: 10.7270/Q27M08SM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50195962 ((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...) Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+	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	850	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale A. Avogadro Curated by ChEMBL					Assay Description Inhibition of human oxidosqualene cyclase expressed in Pichia pastoris cells				Bioorg Med Chem Lett 17: 220-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.058 BindingDB Entry DOI: 10.7270/Q27M08SM
					More data for this Ligand-Target Pair
Lanosterol synthase ERG7 (Saccharomyces cerevisiae)	BDBM50195962 ((4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-...) Show SMILES CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C Show InChI InChI=1S/C20H39NO/c1-6-7-8-9-17-22-18-15-20(3)13-10-12-19(2)14-11-16-21(4)5/h12,15H,6-11,13-14,16-18H2,1-5H3/b19-12+,20-15+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi del Piemonte Orientale A. Avogadro Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cervisiae oxidosqualene cyclase				Bioorg Med Chem Lett 17: 220-4 (2006) Article DOI: 10.1016/j.bmcl.2006.09.058 BindingDB Entry DOI: 10.7270/Q27M08SM
					More data for this Ligand-Target Pair