BDBM300953 N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-3-methoxyphenyl)-1-(3-fluoropropyl)azetidin-3-amine::US10131663, Example 19::US10590130, Example 19::US10961241, Example 19
SMILES: COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21
InChI Key:
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor (Homo sapiens (Human)) | BDBM300953 (N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST a... | US Patent US10131663 (2018) BindingDB Entry DOI: 10.7270/Q2P55QJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300953 (N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human... | US Patent US10131663 (2018) BindingDB Entry DOI: 10.7270/Q2P55QJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor(ER) (aa 307-554) (Homo sapiens (Human)) | BDBM300953 (N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic... | US Patent US10961241 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human)) | BDBM300953 (N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... | US Patent US10590130 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor(ER) (aa 307-554) (Homo sapiens (Human)) | BDBM300953 (N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description ER: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition assay... | US Patent US10590130 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM300953 (N-(4-((6S,8R)-7-(2,2-difluoropropyl)-8-methyl-6,7,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a bl... | US Patent US10131663 (2018) BindingDB Entry DOI: 10.7270/Q2P55QJ9 | |||||||||||
More data for this Ligand-Target Pair |