BDBM50133285 (E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoyl)-phenoxy]-hexyl}-methyl-ammonium;::CHEMBL135109
SMILES: C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C
InChI Key: InChIKey=FBFXKJLPVYYWBH-UHFFFAOYSA-O
Data: 4 IC50
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)) | BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah Curated by ChEMBL | Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei | J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Homo sapiens (Human)) | BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah Curated by ChEMBL | Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in T. cruzi | J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Rattus norvegicus) | BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah Curated by ChEMBL | Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in rat | J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lanosterol synthase (Homo sapiens (Human)) | BDBM50133285 ((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah Curated by ChEMBL | Assay Description Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii | J Med Chem 46: 4240-3 (2003) Article DOI: 10.1021/jm034126t BindingDB Entry DOI: 10.7270/Q26W99GV | |||||||||||
More data for this Ligand-Target Pair |