Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'davies' and Initial = 'rdm'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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
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))	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))	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))	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))	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246762 (CHEMBL4078222) Show SMILES [H][C@]12CC(=O)N(C)[C@@]1([H])CCN(C2)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:16.21,wD:13.14,1.0,7.8,(12.7,-12.69,;14.04,-13.46,;14.36,-11.96,;15.89,-11.8,;16.66,-10.47,;16.52,-13.21,;18.02,-13.53,;15.37,-14.23,;16.7,-15,;15.36,-15.78,;14.03,-16.54,;12.7,-15.76,;12.7,-14.22,;11.37,-16.53,;10.03,-15.76,;8.7,-16.52,;8.7,-18.06,;10.03,-18.83,;11.36,-18.07,;7.37,-18.84,;7.37,-20.37,;8.71,-21.14,;8.71,-22.69,;7.38,-23.46,;6.04,-22.69,;4.57,-23.17,;3.66,-21.93,;4.56,-20.67,;4.07,-19.21,;5.09,-18.06,;4.61,-16.6,;3.11,-16.29,;2.08,-17.44,;2.56,-18.9,;6.04,-21.14,)| Show InChI InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246761 (CHEMBL4102501) Show SMILES [H][C@@]12CC(=O)N(C)[C@]1([H])CCN(C2)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:16.21,1.0,7.8,wD:13.14,(14.1,-14.84,;15.43,-15.62,;15.76,-14.11,;17.29,-13.95,;18.06,-12.62,;17.91,-15.36,;19.41,-15.68,;16.76,-16.39,;18.09,-17.15,;16.75,-17.93,;15.42,-18.69,;14.1,-17.92,;14.09,-16.38,;12.76,-18.68,;11.43,-17.91,;10.09,-18.68,;10.1,-20.22,;11.43,-20.99,;12.75,-20.22,;8.76,-20.99,;8.77,-22.53,;10.1,-23.29,;10.11,-24.84,;8.77,-25.61,;7.44,-24.84,;5.97,-25.33,;5.05,-24.09,;5.95,-22.83,;5.47,-21.37,;6.48,-20.21,;6,-18.76,;4.5,-18.44,;3.47,-19.59,;3.95,-21.06,;7.43,-23.3,)| Show InChI InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)
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
Estrogen receptor (Homo sapiens (Human))	BDBM50517550 (CHEMBL4536329) Show SMILES COc1cc(\C=C\C(O)=O)ccc1[C@@]1(C)N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C26H30FN3O3/c1-16-12-18-19-14-28-29-22(19)10-9-20(18)26(4,30(16)15-25(2,3)27)21-8-6-17(7-11-24(31)32)13-23(21)33-5/h6-11,13-14,16H,12,15H2,1-5H3,(H,28,29)(H,31,32)/b11-7+/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
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))	BDBM50246777 (CHEMBL4067181) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:13.17,wD:10.10,(21.79,-16.28,;21.8,-14.75,;20.47,-13.96,;20.48,-12.42,;19.14,-14.73,;19.13,-16.27,;17.79,-17.02,;16.47,-16.25,;16.47,-14.71,;17.81,-13.95,;15.14,-17.01,;13.8,-16.24,;12.46,-17.01,;12.47,-18.55,;13.8,-19.32,;15.13,-18.55,;11.14,-19.32,;11.14,-20.86,;12.48,-21.62,;12.48,-23.17,;11.15,-23.94,;9.81,-23.17,;8.35,-23.65,;7.43,-22.41,;8.33,-21.15,;7.85,-19.7,;8.87,-18.54,;8.38,-17.09,;6.88,-16.77,;5.85,-17.92,;6.33,-19.39,;9.81,-21.62,)| Show InChI InChI=1S/C23H34N6O3/c1-31-23(30)29-10-8-28(9-11-29)18-4-2-17(3-5-18)27-22-20-19(16-6-12-32-13-7-16)14-24-21(20)25-15-26-22/h14-18H,2-13H2,1H3,(H2,24,25,26,27)/t17-,18-	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	3	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246810 (CHEMBL4078625) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCC3)c12 |r,wU:6.9,wD:3.2,(14.47,-18.02,;13.14,-17.24,;13.15,-15.7,;11.81,-18.01,;10.48,-17.24,;9.14,-18,;9.15,-19.55,;10.47,-20.31,;11.8,-19.55,;7.81,-20.32,;7.81,-21.86,;9.15,-22.62,;9.15,-24.17,;7.82,-24.94,;6.49,-24.17,;5.02,-24.65,;4.1,-23.41,;5,-22.15,;4.52,-20.69,;5.2,-19.31,;3.82,-18.63,;3.13,-20,;6.48,-22.62,)| Show InChI InChI=1S/C18H27N5/c1-23(2)14-8-6-13(7-9-14)22-18-16-15(12-4-3-5-12)10-19-17(16)20-11-21-18/h10-14H,3-9H2,1-2H3,(H2,19,20,21,22)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246809 (CHEMBL4104802) Show SMILES CN(C)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.28,-15.59,;20.29,-14.05,;21.63,-13.29,;18.96,-13.27,;18.97,-11.73,;17.62,-14.03,;17.61,-15.57,;16.28,-16.33,;14.96,-15.55,;14.95,-14.01,;16.3,-13.25,;13.62,-16.32,;12.29,-15.54,;10.95,-16.31,;10.96,-17.85,;12.29,-18.62,;13.62,-17.86,;9.63,-18.62,;9.63,-20.16,;10.96,-20.92,;10.97,-22.47,;9.63,-23.24,;8.3,-22.47,;6.83,-22.96,;5.92,-21.72,;6.82,-20.46,;6.33,-19,;7.35,-17.85,;6.87,-16.39,;5.36,-16.07,;4.34,-17.22,;4.82,-18.69,;8.29,-20.93,)| Show InChI InChI=1S/C24H37N7O2/c1-29(2)24(32)31-11-9-30(10-12-31)19-5-3-18(4-6-19)28-23-21-20(17-7-13-33-14-8-17)15-25-22(21)26-16-27-23/h15-19H,3-14H2,1-2H3,(H2,25,26,27,28)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged human haspin (471 end residues) expressed in baculovirus infected Sf21 insect cells				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
Estrogen receptor (Homo sapiens (Human))	BDBM50153707 (CHEMBL3775824) Show SMILES CC(C)CN1CCc2cc(O)ccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C22H25NO3/c1-15(2)14-23-12-11-18-13-19(24)8-9-20(18)22(23)17-6-3-16(4-7-17)5-10-21(25)26/h3-10,13,15,22,24H,11-12,14H2,1-2H3,(H,25,26)/b10-5+/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	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				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50517550 (CHEMBL4536329) Show SMILES COc1cc(\C=C\C(O)=O)ccc1[C@@]1(C)N(CC(C)(C)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r| Show InChI InChI=1S/C26H30FN3O3/c1-16-12-18-19-14-28-29-22(19)10-9-20(18)26(4,30(16)15-25(2,3)27)21-8-6-17(7-11-24(31)32)13-23(21)33-5/h6-11,13-14,16H,12,15H2,1-5H3,(H,28,29)(H,31,32)/b11-7+/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246764 (CHEMBL4087063) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(S[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(11.36,-19.45,;11.84,-20.9,;10.82,-22.06,;9.31,-21.75,;8.83,-20.28,;9.85,-19.13,;11.31,-23.52,;10.41,-24.78,;11.32,-26.02,;12.79,-25.53,;14.12,-26.3,;15.46,-25.53,;15.45,-23.98,;14.12,-23.22,;14.12,-21.68,;15.45,-20.91,;15.44,-19.37,;16.78,-18.6,;18.11,-19.38,;18.1,-20.91,;16.78,-21.68,;19.45,-18.61,;20.77,-19.39,;22.1,-18.63,;22.11,-17.08,;20.78,-16.31,;19.44,-17.07,;12.78,-23.99,)| Show InChI InChI=1S/C21H30N4O2S/c1-3-17(4-2-16(1)25-7-11-27-12-8-25)28-21-19-18(15-5-9-26-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H,22,23,24)/t16-,17-	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	4	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
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human CLK2 (138 end residues) expressed in baculovirus infected Sf21 cells				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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected Sf21 insect cells				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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	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				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50238741 (CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H] Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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 cell growth measured after 7 days by SYTOX green-based ...				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))	BDBM50246811 (CHEMBL4063689) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C)c12 |r,wU:6.9,wD:3.2,(14.98,-17.83,;13.65,-17.06,;13.66,-15.52,;12.32,-17.82,;10.98,-17.05,;9.64,-17.82,;9.65,-19.36,;10.98,-20.12,;12.31,-19.36,;8.32,-20.13,;8.32,-21.67,;9.66,-22.43,;9.66,-23.98,;8.33,-24.75,;6.99,-23.98,;5.53,-24.46,;4.61,-23.22,;5.51,-21.96,;5.03,-20.5,;6.99,-22.43,)| Show InChI InChI=1S/C15H23N5/c1-10-8-16-14-13(10)15(18-9-17-14)19-11-4-6-12(7-5-11)20(2)3/h8-9,11-12H,4-7H2,1-3H3,(H2,16,17,18,19)/t11-,12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246814 (CHEMBL4085735) Show SMILES CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(7.92,-21.16,;6.89,-22.31,;5.39,-22.01,;7.38,-23.77,;6.48,-25.04,;7.39,-26.27,;8.86,-25.79,;10.2,-26.56,;11.53,-25.79,;11.53,-24.24,;10.19,-23.48,;10.19,-21.94,;11.52,-21.17,;11.51,-19.63,;12.85,-18.86,;14.19,-19.63,;14.18,-21.17,;12.85,-21.94,;15.52,-18.87,;16.85,-19.64,;15.53,-17.33,;8.86,-24.24,)| Show InChI InChI=1S/C17H27N5/c1-11(2)14-9-18-16-15(14)17(20-10-19-16)21-12-5-7-13(8-6-12)22(3)4/h9-13H,5-8H2,1-4H3,(H2,18,19,20,21)/t12-,13-	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	5	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246813 (CHEMBL4089379) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:6.9,wD:3.2,(14.29,-16.13,;12.96,-15.36,;12.96,-13.82,;11.62,-16.12,;10.29,-15.35,;8.95,-16.12,;8.96,-17.66,;10.29,-18.42,;11.62,-17.66,;7.63,-18.43,;7.63,-19.96,;8.97,-20.73,;8.97,-22.28,;7.64,-23.05,;6.3,-22.28,;4.84,-22.76,;3.92,-21.52,;4.82,-20.26,;4.34,-18.8,;5.35,-17.65,;4.87,-16.2,;3.37,-15.88,;2.34,-17.03,;2.82,-18.49,;6.3,-20.73,)| Show InChI InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246789 (CHEMBL4097418) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCC3)c12 |r,wU:6.9,wD:3.2,(17.96,-17.39,;16.63,-16.62,;16.63,-15.08,;15.29,-17.38,;13.96,-16.61,;12.62,-17.38,;12.63,-18.92,;13.96,-19.69,;15.29,-18.92,;11.3,-19.69,;11.3,-21.23,;12.63,-21.99,;12.64,-23.54,;11.3,-24.31,;9.97,-23.54,;8.5,-24.03,;7.59,-22.79,;8.49,-21.53,;8,-20.07,;8.9,-18.81,;7.99,-17.57,;6.52,-18.05,;6.54,-19.59,;9.96,-22,)| Show InChI InChI=1S/C19H29N5/c1-24(2)15-9-7-14(8-10-15)23-19-17-16(13-5-3-4-6-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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
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	6.30	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))	BDBM50517554 (CHEMBL4515274) Show SMILES CC(C)CN1CCc2c(ccc3[nH]ncc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C23H25N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,24,25)(H,27,28)/b10-5+/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
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	7.90	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 presence 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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246783 (CHEMBL4081502) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)| Show InChI InChI=1S/C18H27N5O/c1-23(2)14-5-3-13(4-6-14)22-18-16-15(12-7-8-24-10-12)9-19-17(16)20-11-21-18/h9,11-14H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t12?,13-,14-	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	8	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
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length N-terminal GST-tagged human CLK4 (128 end residues) expressed in baculovirus infected Sf21 insect cells				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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