BindingDB PrimarySearch

BDBM50128056 (E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy)-N-methylbut-2-en-1-aminium::ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE::CHEMBL481811::CHEMBL65553::N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy)-N-methylbut-2-en-1-aminium

SMILES: CN(CC=C)C\C=C\COc1ccc2c(coc2c1)-c1ccc(Br)cc1

InChI Key: InChIKey=KCNKJCHARANTIP-SNAWJCMRSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50128056
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Lanosterol synthase (Homo sapiens (Human))	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Curated by ChEMBL					Assay Description Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes				J Med Chem 46: 2083-92 (2003) Article DOI: 10.1021/jm0211218 BindingDB Entry DOI: 10.7270/Q2VM4BM9
Albert-Ludwigs-Universität Curated by ChEMBL					More data for this Ligand-Target Pair
Squalene-hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Curated by ChEMBL					Assay Description Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius				J Med Chem 46: 2083-92 (2003) Article DOI: 10.1021/jm0211218 BindingDB Entry DOI: 10.7270/Q2VM4BM9
Albert-Ludwigs-Universität Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol synthase (Saccharomyces cerevisiae)	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	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
Università di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
CASMedChem Laboratory Curated by ChEMBL					Assay Description Inhibition of oxidosqualene cyclase				Eur J Med Chem 43: 1462-8 (2008) Article DOI: 10.1016/j.ejmech.2007.09.019 BindingDB Entry DOI: 10.7270/Q2CR5VKG
CASMedChem Laboratory Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	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
Università di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	501	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
Universit£ di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50128056 ((E)-N-allyl-4-(3-(4-bromophenyl)benzofuran-6-yloxy...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	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
Università di Torino Curated by ChEMBL					More data for this Ligand-Target Pair