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BDBM50128071 (4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidin-1-yl)(4-chlorophenyl)methanone::(4-Chloro-phenyl)-{4-[4-(4,5-dihydro-oxazol-2-yl)-benzylidene]-piperidin-1-yl}-methanone::(4-chlorophenyl)(4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidin-1-yl)methanone::CHEMBL417571
SMILES: Clc1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1
InChI Key: InChIKey=JQNWPWUJMRAASQ-UHFFFAOYSA-N
Data: 5 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)) | BDBM50128071 ((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 36 | 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 | |||||||||||||
| Squalene-hopene cyclase (Alicyclobacillus acidocaldarius) | BDBM50128071 ((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+3 | 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 | |||||||||||||
| Cycloartenol synthase (Arabidopsis thaliana) | BDBM50128071 ((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Torino Curated by ChEMBL | Assay Description Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8 | Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lanosterol synthase (Homo sapiens (Human)) | BDBM50128071 ((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Torino Curated by ChEMBL | Assay Description Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8 | Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lanosterol synthase (Saccharomyces cerevisiae) | BDBM50128071 ((4-(4-(4,5-dihydrooxazol-2-yl)benzylidene)piperidi...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Torino Curated by ChEMBL | Assay Description Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8 | Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
