Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 229.4 BDBM50327308Purchase

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 (Homo sapiens (Human))	BDBM50327308 (CHEMBL1233973 | LAURYL DIMETHYLAMINE-N-OXIDE | N,N...) Show SMILES CCCCCCCCCCCC[N+](C)(C)[O-] Show InChI InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbial Chemistry Curated by ChEMBL					Assay Description Inhibition of OSC				Bioorg Med Chem Lett 20: 5807-10 (2010) Article DOI: 10.1016/j.bmcl.2010.07.131 BindingDB Entry DOI: 10.7270/Q2Q52PV3
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50327308 (CHEMBL1233973 | LAURYL DIMETHYLAMINE-N-OXIDE | N,N...) Show SMILES CCCCCCCCCCCC[N+](C)(C)[O-] Show InChI InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Microbial Chemistry Curated by ChEMBL					Assay Description Inhibition of human OSC expressed in Saccharomyces cerevisiae by gas chromatography				Bioorg Med Chem Lett 22: 231-4 (2011) Article DOI: 10.1016/j.bmcl.2011.11.021 BindingDB Entry DOI: 10.7270/Q2Z60PHC
					More data for this Ligand-Target Pair