BDBM50344968 CHEMBL1777819::[(4S,6R)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopropyl-4H,6H-2,5-dioxa-3-aza-benzo[e]azulen-4-yl]-acetic acid
SMILES: COc1cccc([C@@H]2O[C@@H](CC(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC
InChI Key: InChIKey=WRADIXPKOCXFKO-MBSDFSHPSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Squalene synthetase (Homo sapiens (Human)) | BDBM50344968 (CHEMBL1777819 | [(4S,6R)-8-Chloro-6-(2,3-dimethoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharma AG Curated by ChEMBL | Assay Description Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui... | Bioorg Med Chem Lett 21: 3648-53 (2011) Article DOI: 10.1016/j.bmcl.2011.04.092 BindingDB Entry DOI: 10.7270/Q2WW7J0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene synthetase (Homo sapiens (Human)) | BDBM50344968 (CHEMBL1777819 | [(4S,6R)-8-Chloro-6-(2,3-dimethoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharma AG Curated by ChEMBL | Assay Description Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui... | Bioorg Med Chem Lett 21: 3648-53 (2011) Article DOI: 10.1016/j.bmcl.2011.04.092 BindingDB Entry DOI: 10.7270/Q2WW7J0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene synthetase (Homo sapiens (Human)) | BDBM50344968 (CHEMBL1777819 | [(4S,6R)-8-Chloro-6-(2,3-dimethoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharma AG Curated by ChEMBL | Assay Description Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui... | Bioorg Med Chem Lett 21: 3648-53 (2011) Article DOI: 10.1016/j.bmcl.2011.04.092 BindingDB Entry DOI: 10.7270/Q2WW7J0X | |||||||||||
More data for this Ligand-Target Pair |