BDBM50128060 CHEMBL63524::N-allyl-4-(4-(4-bromobenzoyl)phenoxy)-N-methylbut-2-en-1-aminium::{4-[4-(Allyl-methyl-amino)-but-2-enyloxy]-phenyl}-(4-bromo-phenyl)-methanone

SMILES: CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1

InChI Key: InChIKey=XBISDXXCZPAFHE-SNAWJCMRSA-N

Data: 2 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 2 hits for monomerid = 50128060   

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)	BDBM50128060 (CHEMBL63524 | N-allyl-4-(4-(4-bromobenzoyl)phenoxy...) Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H22BrNO2/c1-3-14-23(2)15-4-5-16-25-20-12-8-18(9-13-20)21(24)17-6-10-19(22)11-7-17/h3-13H,1,14-16H2,2H3/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	40	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))	BDBM50128060 (CHEMBL63524 | N-allyl-4-(4-(4-bromobenzoyl)phenoxy...) Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H22BrNO2/c1-3-14-23(2)15-4-5-16-25-20-12-8-18(9-13-20)21(24)17-6-10-19(22)11-7-17/h3-13H,1,14-16H2,2H3/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	3	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