Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.5 BDBM50195963

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)	BDBM50195963 ((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...) Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1 Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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 ERG7 (Saccharomyces cerevisiae)	BDBM50195963 ((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...) Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1 Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	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
Lanosterol synthase (Homo sapiens (Human))	BDBM50195963 ((4E,8E)-N,N,4,8-tetramethyl-10-(3-phenylpropoxy)de...) Show SMILES CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1 Show InChI InChI=1S/C23H37NO/c1-21(13-9-18-24(3)4)11-8-12-22(2)17-20-25-19-10-16-23-14-6-5-7-15-23/h5-7,11,14-15,17H,8-10,12-13,16,18-20H2,1-4H3/b21-11+,22-17+	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	1.10E+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 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