null
SMILES: C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1
InChI Key:
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)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 1.5 | 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)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay | Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00505 BindingDB Entry DOI: 10.7270/Q2PR80PD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 1.80 | 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)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE 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 US10131663 (2018) BindingDB Entry DOI: 10.7270/Q2P55QJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 2.40 | 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) BindingDB Entry DOI: 10.7270/Q28S4SX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 2.10 | 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) BindingDB Entry DOI: 10.7270/Q28S4SX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 1.5 | 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) BindingDB Entry DOI: 10.7270/Q28S4SX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 1.80 | 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) BindingDB Entry DOI: 10.7270/Q28S4SX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor [307-554] (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 2.20E+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) BindingDB Entry DOI: 10.7270/Q28S4SX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor [307-554] (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 1.40E+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) BindingDB Entry DOI: 10.7270/Q28S4SX5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor [307-554] (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 2.40 | 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) BindingDB Entry DOI: 10.7270/Q2BR8W8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor [307-554] (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 1.5 | 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) BindingDB Entry DOI: 10.7270/Q2BR8W8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor [307-554] (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 1.80 | 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) BindingDB Entry DOI: 10.7270/Q2BR8W8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2C9 in human liver microsomes | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2C19 in human liver microsomes | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP1A2 in human liver microsomes | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of tamoxifen by Western blot analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of cycloheximide by Western blot analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | <316 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Agonist activity at ERalpha in human MCF7 cells assessed as increase in progesterone receptor expression level by western blot analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression by Western blot analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at human histamine H3 receptor expressed in CHO-K1 cells after 10 mins by HTRF assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human ERG by plate-based planar patch clamp technique | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP3A4 in human liver microsomes | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of CYP2D6 in human liver microsomes | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst sta... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of fluormone ES2 green reagent from human GST-tagged ERalpha LBD (282 to 595 residues) expressed in baculovirus infected insect cells in... | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01163 BindingDB Entry DOI: 10.7270/Q2KK9GDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus inf... | Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00505 BindingDB Entry DOI: 10.7270/Q2PR80PD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM300969 (BDBM300970 | N-(1-(3- fluoropropyl) azetidin-3-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | US Patent | n/a | n/a | 0.170 | 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 |