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BDBM300996 2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-((1- (3- fluoropropyl) azetidin-3- yl)amino)pyridin- 2-yl)-8- methyl- 3,6,8,9- tetrahydro-7H- pyrazolo[4,3- f]isoquinolin- 7-yl)propan-1- ol::US10131663, Example 62::US10590130, Example 62::US10961241, Example 62
SMILES: C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1
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)) | BDBM300996 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | US Patent | n/a | n/a | 1 | 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)) | BDBM300996 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.130 | 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)) | BDBM300996 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1 | 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)) | BDBM300996 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...) | 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 | 1 | 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)) | BDBM300996 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >4.00E+4 | 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)) | BDBM300996 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...) | 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 | >4.00E+4 | 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 | |||||||||||||
