Compile Data Set for Download or QSAR

Found 603 hits with Last Name = 'pink' and Initial = 'jh'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50084948 (CHEMBL195515 | GW7604) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay				J Med Chem 58: 3522-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517560 (CHEMBL4583286) Show SMILES COc1cc(\C=C\C(O)=O)cc(F)c1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C24H24F3N3O3/c1-13-8-16-15(5-6-19-17(16)11-28-29-19)23(30(13)12-24(2,26)27)22-18(25)9-14(4-7-21(31)32)10-20(22)33-3/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153694 (CHEMBL3774584) Show SMILES C[C@@H]1Cc2cc(O)ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13-8-15-11-16(28)5-6-17(15)22(27(13)12-23(2,3)26)21-18(24)9-14(10-19(21)25)4-7-20(29)30/h4-7,9-11,13,22,28H,8,12H2,1-3H3,(H,29,30)/b7-4+/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM288677 (US10087191, Example 94) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM288677 (US10087191, Example 94) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as reduction in ERalpha protein expression after 5 hrs by formaldehyde-staining based a...				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM288677 (US10087191, Example 94) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517555 (CHEMBL4515724) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C24H26FN3O2/c1-15-12-19-18(9-10-21-20(19)13-26-27-21)23(28(15)14-24(2,3)25)17-7-4-16(5-8-17)6-11-22(29)30/h4-11,13,15,23H,12,14H2,1-3H3,(H,26,27)(H,29,30)/b11-6+/t15-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517560 (CHEMBL4583286) Show SMILES COc1cc(\C=C\C(O)=O)cc(F)c1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C24H24F3N3O3/c1-13-8-16-15(5-6-19-17(16)11-28-29-19)23(30(13)12-24(2,26)27)22-18(25)9-14(4-7-21(31)32)10-20(22)33-3/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517562 (CHEMBL4586022) Show SMILES COc1cc(\C=C\C(O)=O)c(F)cc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C24H24F3N3O3/c1-13-8-16-15(5-6-20-18(16)11-28-29-20)23(30(13)12-24(2,26)27)17-10-19(25)14(4-7-22(31)32)9-21(17)33-3/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517557 (CHEMBL4436390) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H23F4N3O2/c1-13-8-15-16-11-29-30-20(16)6-5-17(15)24(3,31(13)12-23(2,27)28)22-18(25)9-14(10-19(22)26)4-7-21(32)33/h4-7,9-11,13H,8,12H2,1-3H3,(H,29,30)(H,32,33)/b7-4+/t13-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153695 (CHEMBL3775908) Show SMILES C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13(11-24)12-27-14(2)7-16-10-17(28)4-5-18(16)23(27)22-19(25)8-15(9-20(22)26)3-6-21(29)30/h3-6,8-10,13-14,23,28H,7,11-12H2,1-2H3,(H,29,30)/b6-3+/t13-,14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517551 (CHEMBL4436187) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H21F4N3O2/c1-12-7-15-14(4-5-19-16(15)10-28-29-19)22(30(12)11-23(2,26)27)21-17(24)8-13(9-18(21)25)3-6-20(31)32/h3-6,8-10,12,22H,7,11H2,1-2H3,(H,28,29)(H,31,32)/b6-3+/t12-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517551 (CHEMBL4436187) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H21F4N3O2/c1-12-7-15-14(4-5-19-16(15)10-28-29-19)22(30(12)11-23(2,26)27)21-17(24)8-13(9-18(21)25)3-6-20(31)32/h3-6,8-10,12,22H,7,11H2,1-2H3,(H,28,29)(H,31,32)/b6-3+/t12-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517559 (CHEMBL4584370) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F3N3O2/c1-14-9-16-17-12-29-30-21(17)7-6-18(16)25(4,31(14)13-24(2,3)28)23-19(26)10-15(11-20(23)27)5-8-22(32)33/h5-8,10-12,14H,9,13H2,1-4H3,(H,29,30)(H,32,33)/b8-5+/t14-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153696 (CHEMBL3774690) Show SMILES C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C23H26FNO3/c1-15(13-24)14-25-16(2)11-19-12-20(26)8-9-21(19)23(25)18-6-3-17(4-7-18)5-10-22(27)28/h3-10,12,15-16,23,26H,11,13-14H2,1-2H3,(H,27,28)/b10-5+/t15-,16-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50084973 (CHEMBL3427401) Show SMILES Cc1cc(F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(-5.36,-.45,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-7.73,3.72,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-2.68,.77,;-1.33,1.54,;-1.33,3.08,;.01,3.84,;1.34,3.07,;2.68,3.83,;2.69,5.37,;4.02,6.14,;4.03,7.68,;5.37,8.44,;6.43,7.82,;5.37,9.68,;1.36,6.15,;.02,5.38,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-3.75,-1.39,)| Show InChI InChI=1S/C25H17FO6/c1-14-12-16(26)5-9-19(14)23-24(20-10-6-17(27)13-21(20)32-25(23)30)31-18-7-2-15(3-8-18)4-11-22(28)29/h2-13,27H,1H3,(H,28,29)/b11-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay				J Med Chem 58: 3522-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50084974 (CHEMBL3427402) Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)| Show InChI InChI=1S/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay				J Med Chem 58: 3522-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517562 (CHEMBL4586022) Show SMILES COc1cc(\C=C\C(O)=O)c(F)cc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C24H24F3N3O3/c1-13-8-16-15(5-6-20-18(16)11-28-29-20)23(30(13)12-24(2,26)27)17-10-19(25)14(4-7-22(31)32)9-21(17)33-3/h4-7,9-11,13,23H,8,12H2,1-3H3,(H,28,29)(H,31,32)/b7-4+/t13-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517559 (CHEMBL4584370) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F3N3O2/c1-14-9-16-17-12-29-30-21(17)7-6-18(16)25(4,31(14)13-24(2,3)28)23-19(26)10-15(11-20(23)27)5-8-22(32)33/h5-8,10-12,14H,9,13H2,1-4H3,(H,29,30)(H,32,33)/b8-5+/t14-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517564 (CHEMBL4536148) Show SMILES COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C25H28FN3O3/c1-15-11-19-17(8-9-21-20(19)13-27-28-21)24(29(15)14-25(2,3)26)18-7-5-16(6-10-23(30)31)12-22(18)32-4/h5-10,12-13,15,24H,11,14H2,1-4H3,(H,27,28)(H,30,31)/b10-6+/t15-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517563 (CHEMBL4541930) Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C24H27N3O2/c1-15(2)14-27-16(3)12-20-19(9-10-22-21(20)13-25-26-22)24(27)18-7-4-17(5-8-18)6-11-23(28)29/h4-11,13,15-16,24H,12,14H2,1-3H3,(H,25,26)(H,28,29)/b11-6+/t16-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153661 (CHEMBL3774510) Show SMILES C[C@H](CF)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H26F3NO3/c1-14(12-25)13-28-23(18-6-5-17(29)10-16(18)11-24(28,2)3)22-19(26)8-15(9-20(22)27)4-7-21(30)31/h4-10,14,23,29H,11-13H2,1-3H3,(H,30,31)/b7-4+/t14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517557 (CHEMBL4436390) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@](C)(N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H23F4N3O2/c1-13-8-15-16-11-29-30-20(16)6-5-17(15)24(3,31(13)12-23(2,27)28)22-18(25)9-14(10-19(22)26)4-7-21(32)33/h4-7,9-11,13H,8,12H2,1-3H3,(H,29,30)(H,32,33)/b7-4+/t13-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517558 (CHEMBL4462367) Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H25F2N3O2/c1-13(2)12-29-14(3)8-17-16(5-6-21-18(17)11-27-28-21)24(29)23-19(25)9-15(10-20(23)26)4-7-22(30)31/h4-7,9-11,13-14,24H,8,12H2,1-3H3,(H,27,28)(H,30,31)/b7-4+/t14-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM288677 (US10087191, Example 94) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells assessed as reduction in ERalpha protein expression after 5 hrs in absence of 0.25 uM tamoxifen ...				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153708 (CHEMBL3774777) Show SMILES OC(=O)\C=C\c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H20F3NO4/c26-25(27,28)33-21-9-6-19(7-10-21)29-14-13-18-15-20(30)8-11-22(18)24(29)17-4-1-16(2-5-17)3-12-23(31)32/h1-12,15,24,30H,13-14H2,(H,31,32)/b12-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153694 (CHEMBL3774584) Show SMILES C[C@@H]1Cc2cc(O)ccc2[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13-8-15-11-16(28)5-6-17(15)22(27(13)12-23(2,3)26)21-18(24)9-14(10-19(21)25)4-7-20(29)30/h4-7,9-11,13,22,28H,8,12H2,1-3H3,(H,29,30)/b7-4+/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517552 (CHEMBL4517931) Show SMILES COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C24H25F2N3O3/c1-14-10-18-16(7-8-20-19(18)12-27-28-20)23(29(14)13-24(2,25)26)17-6-4-15(5-9-22(30)31)11-21(17)32-3/h4-9,11-12,14,23H,10,13H2,1-3H3,(H,27,28)(H,30,31)/b9-5+/t14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50505750 (CHEMBL4539647) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(cc12)C#N |r,wU:12.16,wD:9.9,(39.73,-20.55,;38.4,-19.77,;38.42,-18.23,;37.07,-20.53,;37.05,-22.07,;35.71,-22.83,;34.39,-22.05,;34.39,-20.5,;35.73,-19.74,;33.04,-22.8,;31.71,-22.03,;30.36,-22.79,;30.37,-24.33,;31.7,-25.11,;33.03,-24.34,;29.03,-25.1,;29.02,-26.64,;30.36,-27.42,;30.36,-28.96,;31.69,-29.73,;33.02,-28.96,;33.18,-27.43,;34.68,-27.11,;35.45,-28.45,;36.98,-28.44,;34.42,-29.59,;29.02,-29.73,;27.69,-28.96,;26.37,-29.74,;25.03,-28.99,;25.01,-27.44,;26.34,-26.66,;27.68,-27.42,;23.67,-26.7,;22.33,-25.94,)| Show InChI InChI=1S/C25H31N9O/c1-17(35)33-9-11-34(12-10-33)21-6-4-19(5-7-21)28-24-22-13-18(14-26)3-8-23(22)30-25(31-24)29-20-15-27-32(2)16-20/h3,8,13,15-16,19,21H,4-7,9-12H2,1-2H3,(H2,28,29,30,31)/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517552 (CHEMBL4517931) Show SMILES COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C24H25F2N3O3/c1-14-10-18-16(7-8-20-19(18)12-27-28-20)23(29(14)13-24(2,25)26)17-6-4-15(5-9-22(30)31)11-21(17)32-3/h4-9,11-12,14,23H,10,13H2,1-3H3,(H,27,28)(H,30,31)/b9-5+/t14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50084971 (CHEMBL3427399) Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(2.93,3.7,;4,3.08,;5.33,3.85,;6.67,3.07,;8,3.84,;9.34,3.07,;10.4,3.68,;9.33,1.83,;10.4,2.45,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;0,3.85,;0,5.39,;-1.33,6.16,;-2.66,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.39,;-7.74,5.54,;-2.67,3.85,;-1.33,3.08,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C27H19F3O6/c1-15-12-19(36-27(28,29)30)8-10-20(15)25-22(21-9-7-18(31)14-23(21)35-26(25)34)13-17-4-2-16(3-5-17)6-11-24(32)33/h2-12,14,31H,13H2,1H3,(H,32,33)/b11-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay				J Med Chem 58: 3522-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM288677 (US10087191, Example 94) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estradiol-driven PR response by microplate cytometry				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50505749 (CHEMBL4439748) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(59.5,-20.65,;59.52,-19.11,;58.19,-18.33,;58.21,-16.8,;56.86,-19.09,;56.84,-20.63,;55.5,-21.39,;54.18,-20.61,;54.18,-19.07,;55.52,-18.3,;52.83,-21.36,;51.5,-20.59,;50.15,-21.35,;50.16,-22.89,;51.49,-23.67,;52.82,-22.9,;48.82,-23.66,;48.82,-25.2,;50.15,-25.98,;50.15,-27.52,;51.48,-28.29,;52.81,-27.52,;52.97,-25.99,;54.47,-25.67,;55.24,-27,;56.77,-27,;54.21,-28.15,;48.82,-28.29,;47.49,-27.52,;46.16,-28.3,;44.82,-27.55,;44.8,-26,;46.13,-25.22,;47.47,-25.98,;43.46,-25.26,;42.13,-24.5,)| Show InChI InChI=1S/C25H31N9O2/c1-32-16-19(15-27-32)29-24-30-22-8-3-17(14-26)13-21(22)23(31-24)28-18-4-6-20(7-5-18)33-9-11-34(12-10-33)25(35)36-2/h3,8,13,15-16,18,20H,4-7,9-12H2,1-2H3,(H2,28,29,30,31)/t18-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153697 (CHEMBL3774737) Show SMILES COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H27F2NO4/c1-14(13-31-3)12-27-15(2)8-17-11-18(28)5-6-19(17)24(27)23-20(25)9-16(10-21(23)26)4-7-22(29)30/h4-7,9-11,14-15,24,28H,8,12-13H2,1-3H3,(H,29,30)/b7-4+/t14-,15-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153658 (CHEMBL3775378) Show SMILES CC(C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C23H27NO3/c1-15(2)14-24-16(3)12-19-13-20(25)9-10-21(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,13,15-16,23,25H,12,14H2,1-3H3,(H,26,27)/b11-6+/t16-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50517558 (CHEMBL4462367) Show SMILES CC(C)CN1[C@H](C)Cc2c(ccc3[nH]ncc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H25F2N3O2/c1-13(2)12-29-14(3)8-17-16(5-6-21-18(17)11-27-28-21)24(29)23-19(25)9-15(10-20(23)26)4-7-22(30)31/h4-7,9-11,13-14,24H,8,12H2,1-3H3,(H,27,28)(H,30,31)/b7-4+/t14-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153695 (CHEMBL3775908) Show SMILES C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C23H24F3NO3/c1-13(11-24)12-27-14(2)7-16-10-17(28)4-5-18(16)23(27)22-19(25)8-15(9-20(22)26)3-6-21(29)30/h3-6,8-10,13-14,23,28H,7,11-12H2,1-2H3,(H,29,30)/b6-3+/t13-,14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50084986 (CHEMBL3427405) Show SMILES Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2c(F)cc(O)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.86,-2.98,;.87,-4.17,;1.4,-5.61,;.41,-6.79,;-1.1,-6.53,;-2.1,-7.71,;-3.61,-7.44,;-4.61,-8.62,;-4.19,-9.78,;-5.82,-8.4,;-1.63,-5.08,;-.64,-3.9,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)| Show InChI InChI=1S/C26H18F2O5/c1-14-10-17(27)7-8-19(14)24-20(11-16-4-2-15(3-5-16)6-9-23(30)31)25-21(28)12-18(29)13-22(25)33-26(24)32/h2-10,12-13,29H,11H2,1H3,(H,30,31)/b9-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay				J Med Chem 58: 3522-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153662 (CHEMBL3775833) Show SMILES C[C@H](CF)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2CC1(C)C |r| Show InChI InChI=1S/C24H28FNO3/c1-16(14-25)15-26-23(18-7-4-17(5-8-18)6-11-22(28)29)21-10-9-20(27)12-19(21)13-24(26,2)3/h4-12,16,23,27H,13-15H2,1-3H3,(H,28,29)/b11-6+/t16-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517556 (CHEMBL4518390) Show SMILES COc1c(F)c(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C24H24F3N3O3/c1-13-10-17-15(7-8-19-18(17)11-28-29-19)22(30(13)12-24(2,26)27)16-6-4-14(5-9-20(31)32)21(25)23(16)33-3/h4-9,11,13,22H,10,12H2,1-3H3,(H,28,29)(H,31,32)/b9-5+/t13-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50084970 (CHEMBL3427398) Show SMILES Cc1cc(Cl)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,-.46,;5.33,.77,;6.66,1.54,;6.66,3.08,;7.73,3.7,;5.33,3.85,;3.99,3.08,;4,1.54,;2.66,.77,;1.33,1.54,;1.33,3.08,;0,3.85,;0,5.39,;-1.33,6.16,;-2.66,5.39,;-4,6.16,;-5.33,5.39,;-6.67,6.16,;-6.67,7.39,;-7.74,5.54,;-2.67,3.85,;-1.33,3.08,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C26H19ClO5/c1-15-12-18(27)7-9-20(15)25-22(21-10-8-19(28)14-23(21)32-26(25)31)13-17-4-2-16(3-5-17)6-11-24(29)30/h2-12,14,28H,13H2,1H3,(H,29,30)/b11-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay				J Med Chem 58: 3522-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517555 (CHEMBL4515724) Show SMILES C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C24H26FN3O2/c1-15-12-19-18(9-10-21-20(19)13-26-27-21)23(28(15)14-24(2,3)25)17-7-4-16(5-8-17)6-11-22(29)30/h4-11,13,15,23H,12,14H2,1-3H3,(H,26,27)(H,29,30)/b11-6+/t15-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153692 (CHEMBL3775766) Show SMILES CC(C)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H27F2NO3/c1-14(2)13-27-23(18-7-6-17(28)11-16(18)12-24(27,3)4)22-19(25)9-15(10-20(22)26)5-8-21(29)30/h5-11,14,23,28H,12-13H2,1-4H3,(H,29,30)/b8-5+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517564 (CHEMBL4536148) Show SMILES COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C25H28FN3O3/c1-15-11-19-17(8-9-21-20(19)13-27-28-21)24(29(15)14-25(2,3)26)18-7-5-16(6-10-23(30)31)12-22(18)32-4/h5-10,12-13,15,24H,11,14H2,1-4H3,(H,27,28)(H,30,31)/b10-6+/t15-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50517561 (CHEMBL4586630) Show SMILES CC(C)CN1[C@H](c2ccc(\C=C\C(O)=O)cc2)c2ccc3[nH]ncc3c2CC1(C)C |r| Show InChI InChI=1S/C25H29N3O2/c1-16(2)15-28-24(18-8-5-17(6-9-18)7-12-23(29)30)19-10-11-22-21(14-26-27-22)20(19)13-25(28,3)4/h5-12,14,16,24H,13,15H2,1-4H3,(H,26,27)(H,29,30)/b12-7+/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay				J Med Chem 62: 1593-1608 (2019) Article DOI: 10.1021/acs.jmedchem.8b01837 BindingDB Entry DOI: 10.7270/Q2NZ8C16
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153661 (CHEMBL3774510) Show SMILES C[C@H](CF)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H26F3NO3/c1-14(12-25)13-28-23(18-6-5-17(29)10-16(18)11-24(28,2)3)22-19(26)8-15(9-20(22)27)4-7-21(30)31/h4-10,14,23,29H,11-13H2,1-3H3,(H,30,31)/b7-4+/t14-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50084965 (CHEMBL3427393) Show SMILES OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(O)ccc23)cc1 Show InChI InChI=1S/C26H17F3O6/c27-26(28,29)35-19-9-6-17(7-10-19)24-21(20-11-8-18(30)14-22(20)34-25(24)33)13-16-3-1-15(2-4-16)5-12-23(31)32/h1-12,14,30H,13H2,(H,31,32)/b12-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay				J Med Chem 58: 3522-33 (2015) Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153693 (CHEMBL3775795) Show SMILES C[C@@H]1Cc2cc(O)ccc2[C@H](N1c1ccc(OC(F)(F)F)cc1)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C26H22F3NO4/c1-16-14-19-15-21(31)9-12-23(19)25(18-5-2-17(3-6-18)4-13-24(32)33)30(16)20-7-10-22(11-8-20)34-26(27,28)29/h2-13,15-16,25,31H,14H2,1H3,(H,32,33)/b13-4+/t16-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50153692 (CHEMBL3775766) Show SMILES CC(C)CN1[C@@H](c2ccc(O)cc2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C24H27F2NO3/c1-14(2)13-27-23(18-7-6-17(28)11-16(18)12-24(27,3)4)22-19(25)9-15(10-20(22)26)5-8-21(29)30/h5-11,14,23,28H,12-13H2,1-4H3,(H,29,30)/b8-5+/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay				ACS Med Chem Lett 7: 94-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00413 BindingDB Entry DOI: 10.7270/Q2HD7XHZ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246779 (CHEMBL4080574) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:12.16,wD:9.9,(19.88,-14.05,;18.55,-13.27,;18.56,-11.73,;17.21,-14.03,;17.2,-15.57,;15.87,-16.33,;14.54,-15.55,;14.54,-14.01,;15.88,-13.25,;13.21,-16.32,;11.88,-15.54,;10.54,-16.31,;10.55,-17.85,;11.88,-18.62,;13.2,-17.85,;9.22,-18.62,;9.22,-20.16,;10.55,-20.92,;10.56,-22.47,;9.22,-23.24,;7.89,-22.47,;6.42,-22.96,;5.51,-21.72,;6.41,-20.46,;5.92,-19,;6.94,-17.84,;6.46,-16.39,;4.95,-16.07,;3.93,-17.22,;4.41,-18.69,;7.88,-20.93,)| Show InChI InChI=1S/C23H34N6O2/c1-16(30)28-8-10-29(11-9-28)19-4-2-18(3-5-19)27-23-21-20(17-6-12-31-13-7-17)14-24-22(21)25-15-26-23/h14-15,17-19H,2-13H2,1H3,(H2,24,25,26,27)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair

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