Compile Data Set for Download or QSAR

Found 380 hits with Last Name = 'davies' and Initial = 'rd'   

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
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50047420 (CHEMBL3319405) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of alpha4 nAChR (unknown origin)				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50047420 (CHEMBL3319405) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DAT (unknown origin)				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047485 (CHEMBL3319217) Show SMILES CCc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C25H30ClN5O4S2/c1-3-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)36-25)37(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0780	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047481 (CHEMBL3319221) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccc4)sc3c2)CC1 Show InChI InChI=1S/C27H29ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h2-3,5-8,10-11,17-18H,4,9,12-16H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047429 (CHEMBL3319398) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(cc4Cl)C#N)sc3c2)CC1 Show InChI InChI=1S/C28H32ClN7O4S2/c1-34-10-12-35(13-11-34)7-4-14-42(39,40)20-5-6-23-25(16-20)41-28(31-23)33-27(38)32-26(37)21-17-24(36-8-2-3-9-36)19(18-30)15-22(21)29/h5-6,15-17H,2-4,7-14H2,1H3,(H2,31,32,33,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047480 (CHEMBL3319222) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCCC4)sc3c2)CC1 Show InChI InChI=1S/C27H33ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h5-8,17-18H,2-4,9-16H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047431 (CHEMBL3319397) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(c(Cl)cc4Cl)-n4cccn4)sc3c2)CC1 Show InChI InChI=1S/C26H27Cl2N7O4S2/c1-33-9-11-34(12-10-33)7-3-13-41(38,39)17-4-5-21-23(14-17)40-26(30-21)32-25(37)31-24(36)18-15-22(20(28)16-19(18)27)35-8-2-6-29-35/h2,4-6,8,14-16H,3,7,9-13H2,1H3,(H2,30,31,32,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047482 (CHEMBL3319220) Show SMILES CCOc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C25H30ClN5O5S2/c1-3-36-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)37-25)38(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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))	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))	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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047483 (CHEMBL3319219) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)C4CC4)sc3c2)CC1 Show InChI InChI=1S/C26H30ClN5O4S2/c1-31-10-12-32(13-11-31)9-2-14-38(35,36)19-6-8-22-23(16-19)37-26(28-22)30-25(34)29-24(33)20-15-18(17-3-4-17)5-7-21(20)27/h5-8,15-17H,2-4,9-14H2,1H3,(H2,28,29,30,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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 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))	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))	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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047688 (CHEMBL3319407) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(N4CCCC4)c(cc3Cl)C#N)sc2c1 Show InChI InChI=1S/C26H27ClN6O4S2/c1-32-10-6-17(7-11-32)39(36,37)18-4-5-21-23(13-18)38-26(29-21)31-25(35)30-24(34)19-14-22(33-8-2-3-9-33)16(15-28)12-20(19)27/h4-5,12-14,17H,2-3,6-11H2,1H3,(H2,29,30,31,34,35)	PDB Reactome pathway KEGG 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 Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047426 (CHEMBL3319400) Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccc3)sc2c1 Show InChI InChI=1S/C26H28ClN5O4S2/c1-3-31(4-2)12-7-15-38(35,36)19-9-11-22-23(17-19)37-26(28-22)30-25(34)29-24(33)20-16-18(8-10-21(20)27)32-13-5-6-14-32/h5-6,8-11,13-14,16-17H,3-4,7,12,15H2,1-2H3,(H2,28,29,30,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047474 (CHEMBL3319228) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccc(cc4Cl)-n4ccc(C)n4)sc3c2)CC1 Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-21(22(28)16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Rattus norvegicus (rat))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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 Inhibition of rat DGAT1				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047475 (CHEMBL3319227) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4ccc(C)n4)sc3c2)CC1 Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-22(28)21(16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047428 (CHEMBL3319399) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5n(C)ccc5cc4Cl)sc3c2)CC1 Show InChI InChI=1S/C26H29ClN6O4S2/c1-31-9-11-33(12-10-31)7-3-13-39(36,37)18-4-5-21-23(15-18)38-26(28-21)30-25(35)29-24(34)19-16-22-17(14-20(19)27)6-8-32(22)2/h4-6,8,14-16H,3,7,9-13H2,1-2H3,(H2,28,29,30,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047432 (CHEMBL3319396) Show SMILES COc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C27H30ClN7O5S2/c1-33-10-12-34(13-11-33)8-4-14-42(38,39)18-5-6-21-24(15-18)41-27(30-21)32-26(37)31-25(36)19-16-22(35-9-3-7-29-35)23(40-2)17-20(19)28/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H2,30,31,32,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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))	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))	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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047478 (CHEMBL3319225) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccn4)sc3c2)CC1 Show InChI InChI=1S/C26H28ClN7O4S2/c1-32-11-13-33(14-12-32)9-3-15-40(37,38)19-5-7-22-23(17-19)39-26(29-22)31-25(36)30-24(35)20-16-18(4-6-21(20)27)34-10-2-8-28-34/h2,4-8,10,16-17H,3,9,11-15H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047479 (CHEMBL3319224) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-c4ccccn4)sc3c2)CC1 Show InChI InChI=1S/C28H29ClN6O4S2/c1-34-12-14-35(15-13-34)11-4-16-41(38,39)20-7-9-24-25(18-20)40-28(31-24)33-27(37)32-26(36)21-17-19(6-8-22(21)29)23-5-2-3-10-30-23/h2-3,5-10,17-18H,4,11-16H2,1H3,(H2,31,32,33,36,37)	PDB Reactome pathway KEGG 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 [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047418 (CHEMBL3319223) Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1 Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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))	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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50047687 (CHEMBL3319406) Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O4S2/c1-30-12-8-17(9-13-30)37(34,35)18-5-7-21-22(15-18)36-25(27-21)29-24(33)28-23(32)19-14-16(4-6-20(19)26)31-10-2-3-11-31/h4-7,14-15,17H,2-3,8-13H2,1H3,(H2,27,28,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method				J Med Chem 57: 6128-40 (2014) Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X
					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 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))	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))	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
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair

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