Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.5 BDBM50003025

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 (Rattus norvegicus)	BDBM50003025 (1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...) Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against purified rat liver Oxidosqualene cyclase (OSC)				Bioorg Med Chem Lett 3: 1175-1178 (1993) Article DOI: 10.1016/S0960-894X(00)80309-1 BindingDB Entry DOI: 10.7270/Q2BK1C83
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50003025 (1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...) Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)				Bioorg Med Chem Lett 3: 1175-1178 (1993) Article DOI: 10.1016/S0960-894X(00)80309-1 BindingDB Entry DOI: 10.7270/Q2BK1C83
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50003025 (1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...) Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver				J Med Chem 35: 3581-3 (1992) BindingDB Entry DOI: 10.7270/Q24T6H9N
					More data for this Ligand-Target Pair