Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.3 BDBM50255432

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
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50255432 (CHEMBL516921 | N-allyl-4-(3-(4-bromophenyl)benzo[d...) Show SMILES CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50255432 (CHEMBL516921 | N-allyl-4-(3-(4-bromophenyl)benzo[d...) Show SMILES CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Lanosterol synthase ERG7 (Saccharomyces cerevisiae)	BDBM50255432 (CHEMBL516921 | N-allyl-4-(3-(4-bromophenyl)benzo[d...) Show SMILES CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C Show InChI InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair