Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 196.3 BDBM50003030

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)	BDBM50003030 ((2S,4aS,8aR)-1,1,4a-Trimethyl-decahydro-naphthalen...) Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12 Show InChI InChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	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
Lanosterol synthase (Rattus norvegicus)	BDBM50003030 ((2S,4aS,8aR)-1,1,4a-Trimethyl-decahydro-naphthalen...) Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12 Show InChI InChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoires Fournier SCA Curated by ChEMBL					Assay Description Inhibitory activity against Oxidosqualene-lanosterol cyclase from Rat liver microsomes				J Med Chem 39: 2302-12 (1996) Article DOI: 10.1021/jm9504621 BindingDB Entry DOI: 10.7270/Q28G8JTB
					More data for this Ligand-Target Pair