Compile Data Set for Download or QSAR

Found 283 hits of ic50 for UniProtKB: P03372   

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 [307-554] (Homo sapiens (Human))	BDBM361518 (2,2-difluoro-3- ((1R,3R)-1-(5- fluoro-2-(2- ((3- f...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361495 (3-((1R,3R)-1- (6-fluoro-3-(2- ((3- fluoropropyl) a...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC#N)c1c(F)ccc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361423 (3-((1R,3R)-1-(2,6-difluoro-3-(2-((3-fluoropropyl)a...) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361511 (2,2-difluoro-3- ((1R,3R)-1-(2- (2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361460 (3-fluoro-N-(2- (3-((1R,3R)-2- ((1- fluorocycloprop...) Show SMILES COc1ccc(OCCNCCCF)cc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361519 (3-((1R,3R)-1- (3-chloro-5- fluoro-2-(2- ((3- fluor...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361420 (Preparation of 3-fluoro-N-(2-((5-methoxy-4-((1R,3R...) Show SMILES COc1cnc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361473 (3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361498 (N1-(2-fluoro- 4-methoxy-3- ((1R,3R)-3- methyl-2- (...) Show SMILES COc1ccc(NCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM300972 (5-((6S,8R)-1- fluoro-8- methyl-7- (2,2,2- trifluor...) Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1cnc(NC2CN(CCCF)C2)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	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))	BDBM361422 (3-((1R,3R)-1-(2,6-difluoro-3-(2-((3-fluoropropyl)a...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361476 (3-((1R,3R)-1- (2- (difluoromethyl)- 3-(2-((3- fluo...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cccc(OCCNCCCF)c1C(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361475 (3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCN(C)CCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361474 (3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361470 (3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3cccc(F)c23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.710	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361512 (3-((1R,3R)-1- (3-chloro-2-(2- ((3- fluoropropyl) a...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ccnc(OCCNCCCF)c1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361522 (3-fluoro-N-(2- ((5-methyl-6- ((1S,3R)-3- methyl-2-...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ncnc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.740	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361453 (2,2-difluoro-3- ((1R,3R)-1-(6- fluoro-3-(2- ((3- f...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.780	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361469 (3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361419 (Preparation of 3-fluoro-N-(2-(2-fluoro-4-methoxy-3...) Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM300961 (1-(3-Fluoropropyl)-N-(4-((6R,8R)-8-methyl-7-(2,2,2...) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	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))	BDBM361468 (3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3c(F)cccc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361434 (3-fluoro-N-(2- (4-methoxy-2- methyl-3- ((1R,3R)-3-...) Show SMILES COc1ccc(OCCNCCCF)c(C)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.850	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361494 (2,2-difluoro-3- ((1R,3R)-6- fluoro-1-(2- fluoro-3-...) Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361433 (N-(2-(2- chloro-3- ((1R,3R)-3- methyl-2- (2,2,2- t...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1Cl |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM300995 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(5- ((1-(3- f...) Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)cn1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	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))	BDBM361566 (Preparation of 3-((1R,3R)-1-(5-fluoro-2-(2-((3-flu...) Show SMILES CC(CC(O)=O)N1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361497 (3-((1R,3R)-1- (2,6-difluoro- 3-((2-((3- fluoroprop...) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(NCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361514 (3-fluoro-N-(2- ((3-methyl-4- ((1R,3R)-3- methyl-2-...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1ccnc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM300973 (2-fluoro-6- ((6S,8R)-1- fluoro-8- methyl-7- (2,2,2...) Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	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))	BDBM361492 (3-fluoro-N-(2- (2-fluoro-3- ((1R,3R)-2-((3- fluoro...) Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC2(F)COC2)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361472 (3-((1R,3R)-1- (3,5-difluoro- 2-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1c(F)cnc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361428 (3-fluoro-N-(2- (2-methyl-3- ((1R,3R)-3- methyl-2- ...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1cccc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361484 (N-(2-(2,4- difluoro-3- ((1R,3R)-2-((1- fluorocyclo...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361516 (N-(2-((3,5- difluoro-4- ((1R,3R)-2-((1- fluorocycl...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC1(F)CC1)c1c(F)cnc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361563 ((2R)-3-[(1R,3R)-6-fluoro-1-[5-fluoro-2-[2-[3-fluor...) Show SMILES C[C@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361523 (2,2-difluoro-3- ((1S,3R)-1-(6- (2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1ncnc(OCCNCCCF)c1C |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361458 (2,2-difIuoro-3- ((1R,3R)-1-(5- ((S)-2-((3- fluorop...) Show SMILES COc1ccc(OC[C@@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361454 (2,2-difluoro-3- ((1R,3R)-6- fluoro-1-(5-(2- ((3- f...) Show SMILES COc1ccc(OCCNCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccc(F)cc21 |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361452 (3-((1R,3R)-1- (2-chloro-5-(2- ((3- fluoropropyl) a...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)CO)c1cc(OCCNCCCF)ccc1Cl |r| Show InChI	PDB UniProtKB/SwissProt 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 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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM300996 (2,2-difluoro-3- ((6S,8R)-1- fluoro-6-(6- fluoro-5-...) Show SMILES C[C@@H]1Cc2c(ccc3[nH]nc(F)c23)[C@H](N1CC(F)(F)CO)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r| Show InChI	PDB UniProtKB/SwissProt 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) BindingDB Entry DOI: 10.7270/Q2BR8W8P
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361556 ((S)-3-((1R,3R)- 1-(2- (difluoromethyl)- 6-fluoro-3...) Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C(F)F)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361554 ((S)-3-((1R,3R)- 6-fluoro-1-(6- fluoro-3-(2- ((3- f...) Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccc(F)cc23)[C@H]1c1c(F)ccc(OCCN(C)CCCF)c1C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361553 ((S)-3-((1R,3R)-1-(5-fluoro-2-(2-((3-fluoropropyl)(...) Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cnc(OCCN(C)CCCF)c1C)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361471 (3-((1R,3R)-1- (2,6-difluoro- 3-(2-((3- fluoropropy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccc(C)cc23)[C@H](N1CC(F)(F)CO)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361459 (N-(2-(3- ((1R,3R)-2- (2,2- difluoroethyl)- 3-methy...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)F)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361457 (2,2-difluoro-3- ((1R,3R)-1-(5- ((S)-2-((3- fluorop...) Show SMILES COc1ccc(OC[C@H](C)NCCCF)cc1[C@H]1N(CC(F)(F)CO)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361419 (Preparation of 3-fluoro-N-(2-(2-fluoro-4-methoxy-3...) Show SMILES COc1ccc(OCCNCCCF)c(F)c1[C@H]1N(CC(F)(F)F)[C@H](C)Cc2c1[nH]c1ccccc21 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM361417 (Preparation of N-(2-(2,4-difluoro-3-((1R,3R)-3-met...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(F)(F)F)c1c(F)ccc(OCCNCCCF)c1F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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) BindingDB Entry DOI: 10.7270/Q251428F
					More data for this Ligand-Target Pair
Estrogen receptor [307-554] (Homo sapiens (Human))	BDBM300981 (6-((6S,8R)-7- (2,2- difluoroethyl)- 8-methyl- 6,7,...) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1ccc(NC2CN(CCCF)C2)c(F)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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

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