Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.4 BDBM50130771

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))	BDBM50130771 ((4-Bromo-phenyl)-{4-[6-(cyclopropylmethyl-methyl-a...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC1CC1 Show InChI InChI=1S/C24H30BrNO2/c1-26(18-19-6-7-19)16-4-2-3-5-17-28-23-14-10-21(11-15-23)24(27)20-8-12-22(25)13-9-20/h8-15,19H,2-7,16-18H2,1H3	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	31.8	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50130771 ((4-Bromo-phenyl)-{4-[6-(cyclopropylmethyl-methyl-a...) Show SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC1CC1 Show InChI InChI=1S/C24H30BrNO2/c1-26(18-19-6-7-19)16-4-2-3-5-17-28-23-14-10-21(11-15-23)24(27)20-8-12-22(25)13-9-20/h8-15,19H,2-7,16-18H2,1H3	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Torino Curated by ChEMBL					Assay Description Inhibition of oxidosqualene cyclase				J Med Chem 50: 5039-42 (2007) Article DOI: 10.1021/jm0704651 BindingDB Entry DOI: 10.7270/Q2ZP47FF
					More data for this Ligand-Target Pair