Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 430.7 BDBM50055645

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
Lanosterol synthase (Rattus norvegicus)	BDBM50055645 ((6E,10E,14E)-2,6,10,15,19-Pentamethyl-21-(3-methyl...) Show SMILES CC(C)CCC(=O)C(C)C=CC\C(C)=C\CC\C=C(/C)CCCC(C)CCC1OC1C |w:9.8| Show InChI InChI=1S/C29H50O2/c1-22(2)18-20-28(30)26(6)17-11-16-24(4)13-9-8-12-23(3)14-10-15-25(5)19-21-29-27(7)31-29/h11-13,17,22,25-27,29H,8-10,14-16,18-21H2,1-7H3/b17-11?,23-12+,24-13+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition constant against rat liver Oxidosqualene-lanosterol cyclase				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50055645 ((6E,10E,14E)-2,6,10,15,19-Pentamethyl-21-(3-methyl...) Show SMILES CC(C)CCC(=O)C(C)C=CC\C(C)=C\CC\C=C(/C)CCCC(C)CCC1OC1C |w:9.8| Show InChI InChI=1S/C29H50O2/c1-22(2)18-20-28(30)26(6)17-11-16-24(4)13-9-8-12-23(3)14-10-15-25(5)19-21-29-27(7)31-29/h11-13,17,22,25-27,29H,8-10,14-16,18-21H2,1-7H3/b17-11?,23-12+,24-13+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition against rat liver Oxidosqualene-lanosterol cyclase				J Med Chem 40: 201-9 (1997) Article DOI: 10.1021/jm960483a BindingDB Entry DOI: 10.7270/Q2P26X73
					More data for this Ligand-Target Pair