BDBM361486 N-(2-(4- chloro-2- fluoro-3- ((1R,3R)-3- methyl-2- (2,2,2- trifluoroethyl)- 2,3,4,9- tetrahydro-1H- pyrido[3,4- b]indol-1- yl)phenoxy) ethyl)-3- fluoropropan- 1-amine::US10221173, Example 78::US10590132, Example 78
SMILES: C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(Cl)ccc(OCCNCCCF)c1F
InChI Key:
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 |
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Estrogen receptor (Homo sapiens (Human)) | BDBM361486 (N-(2-(4- chloro-2- fluoro-3- ((1R,3R)-3- methyl-2-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha—LBD (GST)) was assessed in competition assays us... | US Patent US10221173 (2019) BindingDB Entry DOI: 10.7270/Q2HD7XZS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM361486 (N-(2-(4- chloro-2- fluoro-3- ((1R,3R)-3- methyl-2-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor(ER) (aa 307-554) (Homo sapiens (Human)) | BDBM361486 (N-(2-(4- chloro-2- fluoro-3- ((1R,3R)-3- methyl-2-...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca AB US Patent | Assay Description ERα: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition... | US Patent US10590132 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM361486 (N-(2-(4- chloro-2- fluoro-3- ((1R,3R)-3- methyl-2-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.120 | 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 US10221173 (2019) BindingDB Entry DOI: 10.7270/Q2HD7XZS | |||||||||||
More data for this Ligand-Target Pair |