BindingDB PrimarySearch

BDBM50128054 Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-hexyl}-methyl-amine::CHEMBL543877::CHEMBL65024::N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE::N-allyl-6-(1-(4-bromophenyl)isoquinolin-6-yloxy)-N-methylhexan-1-aminium

SMILES: CN(CCCCCCOc1ccc2c(nccc2c1)-c1ccc(Br)cc1)CC=C

InChI Key: InChIKey=PPLTVWUUFGVURW-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50128054
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))	BDBM50128054 (Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.5	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)	BDBM50128054 (Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	186	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 (Homo sapiens (Human))	BDBM50128054 (Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.47	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))	BDBM50128054 (Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.5	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
Lanosterol synthase (Homo sapiens (Human))	BDBM50128054 (Allyl-{6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human 2,3-oxidosqualene cyclase.				J Med Chem 46: 3354-70 (2003) Article DOI: 10.1021/jm021120f BindingDB Entry DOI: 10.7270/Q29G5NKM
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair