BindingDB PrimarySearch

BDBM361518 2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- fluoropropyl) amino)ethoxy)- 3- methylpyridin- 4-yl)-3- methyl- 1,3,4,9- tetrahydro-2H- pyrido[3,4- b]indol-2- yl)propan-1-ol::US10221173, Example 110::US10590132, Example 110

SMILES: C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1C

InChI Key:

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 361518
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	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
AstraZeneca AB US Patent					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0450	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
AstraZeneca AB US Patent					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES Show InChI	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description hERG (human ether a go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a ...				US Patent US10221173 (2019) BindingDB Entry DOI: 10.7270/Q2HD7XZS
AstraZeneca AB US Patent					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES Show InChI	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description hERG: The purpose of the hERG binding assay is to evaluate the effects of test compounds on the voltage-dependent potassium channel encoded by the hu...				US Patent US10590132 (2020)
AstraZeneca AB US Patent					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Estrogen receptor(ER) (aa 307-554) (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	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)
AstraZeneca AB US Patent					More data for this Ligand-Target Pair