BDBM50128067 (2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE::(E)-N-allyl-4-(3-(4-bromophenyl)-5-fluoro-1-methyl-1H-indazol-6-yloxy)-N-methylbut-2-en-1-aminium::Allyl-{4-[3-(4-bromo-phenyl)-5-fluoro-1-methyl-1H-indazol-6-yloxy]-but-2-enyl}-methyl-amine::CHEMBL65730
SMILES: CN(CC=C)C\C=C\COc1cc2n(C)nc(-c3ccc(Br)cc3)c2cc1F
InChI Key: InChIKey=YDWPQZUWZDRRSE-AATRIKPKSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lanosterol synthase (Homo sapiens (Human)) | BDBM50128067 ((2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METH...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | 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 | |||||||||||||
Lanosterol synthase (Homo sapiens (Human)) | BDBM50128067 ((2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METH...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | 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 | |||||||||||||
Squalene-hopene cyclase (Alicyclobacillus acidocaldarius) | BDBM50128067 ((2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METH...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | DrugBank MMDB PDB Article PubMed | n/a | n/a | 281 | 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 | 3D Structure (crystal) |