Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 350.5 BDBM50018523

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

Found 2 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
Squalene monooxygenase (Homo sapiens (Human))	BDBM50018523 (5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,...) Show SMILES C\C(CC\C=C(/C)CCC#C)=C/CC\C=C(/C)CC\C=C(/C)CCC#C Show InChI InChI=1S/C26H38/c1-7-9-15-23(3)19-13-21-25(5)17-11-12-18-26(6)22-14-20-24(4)16-10-8-2/h1-2,17-20H,9-16,21-22H2,3-6H3/b23-19+,24-20+,25-17+,26-18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibitory activity against Squalene Epoxidase in pig liver				J Med Chem 32: 2152-8 (1989) BindingDB Entry DOI: 10.7270/Q21835HM
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50018523 (5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,...) Show SMILES C\C(CC\C=C(/C)CCC#C)=C/CC\C=C(/C)CC\C=C(/C)CCC#C Show InChI InChI=1S/C26H38/c1-7-9-15-23(3)19-13-21-25(5)17-11-12-18-26(6)22-14-20-24(4)16-10-8-2/h1-2,17-20H,9-16,21-22H2,3-6H3/b23-19+,24-20+,25-17+,26-18+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibitory activity against Oxidosqualene-lanosterol cyclase in pig liver				J Med Chem 32: 2152-8 (1989) BindingDB Entry DOI: 10.7270/Q21835HM
					More data for this Ligand-Target Pair