BDBM50128046 (E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6-yloxy)-N-methylbut-2-en-1-aminium::Allyl-{4-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-but-2-enyl}-methyl-amine::CHEMBL65601::N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6-yloxy)-N-methylbut-2-en-1-aminium

SMILES: CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1

InChI Key: InChIKey=URARQFSGUNLECM-SNAWJCMRSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50128046   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene-hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128046 ((E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H21BrN2O2/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/h3-11,15H,1,12-14H2,2H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	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
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128046 ((E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H21BrN2O2/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/h3-11,15H,1,12-14H2,2H3/b5-4+	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	28.8	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
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50128046 ((E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H21BrN2O2/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/h3-11,15H,1,12-14H2,2H3/b5-4+	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	29	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
Lanosterol synthase (Homo sapiens (Human))	BDBM50128046 ((E)-N-allyl-4-(3-(4-bromophenyl)benzo[d]isoxazol-6...) Show SMILES CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H21BrN2O2/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/h3-11,15H,1,12-14H2,2H3/b5-4+	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	29	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
					More data for this Ligand-Target Pair