Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'pearson' and Initial = 'se'   

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))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| 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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.138	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.145	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.209	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells in presence of 0.25 uM tamoxifen				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.209	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.282	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.309	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50125055 (CHEMBL3623002) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.417	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125055 (CHEMBL3623002) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.708	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	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 Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50169743 ((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...) Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| 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	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.813	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50125055 (CHEMBL3623002) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H26F2N2O2/c1-14(2)13-29-15(3)10-18-17-6-4-5-7-21(17)28-24(18)25(29)23-19(26)11-16(12-20(23)27)8-9-22(30)31/h4-9,11-12,14-15,25,28H,10,13H2,1-3H3,(H,30,31)/b9-8+/t15-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.832	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125054 (CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.851	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125054 (CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190001 (CHEMBL213007 | N-(5-chloro-2-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C21H22ClFN4O4S/c1-30-19-11-17-15(10-20(19)31-14-5-7-27(8-6-14)32(2,28)29)21(25-12-24-17)26-18-9-13(22)3-4-16(18)23/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50072961 (CHEMBL3410672) Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C1(CC1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	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 Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s...				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371358 (CHEMBL257478) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190002 (CHEMBL387265 | N-(3-chloro-2-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C21H22ClFN4O4S/c1-30-18-11-17-14(10-19(18)31-13-6-8-27(9-7-13)32(2,28)29)21(25-12-24-17)26-16-5-3-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50222495 ((S)-1-(2-((4-(3-chloro-4-(pyridin-2-ylmethoxy)phen...) Show SMILES OCC(=O)N1CCC[C@H]1COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 ErbB2 kinase				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190000 (CHEMBL214798 | N-(3-chloro-2-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(C)CC1 Show InChI InChI=1S/C21H22ClFN4O2/c1-27-8-6-13(7-9-27)29-19-10-14-17(11-18(19)28-2)24-12-25-21(14)26-16-5-3-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189993 (2-(4-(4-(3-chloro-2-fluorophenylamino)-7-methoxyqu...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C22H23ClFN5O3/c1-31-18-10-17-14(9-19(18)32-13-5-7-29(8-6-13)11-20(25)30)22(27-12-26-17)28-16-4-2-3-15(23)21(16)24/h2-4,9-10,12-13H,5-8,11H2,1H3,(H2,25,30)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189995 (CHEMBL213874 | N-(3-chloro-2-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-8-6-14(7-9-28)12-30-20-10-15-18(11-19(20)29-2)25-13-26-22(15)27-17-5-3-4-16(23)21(17)24/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50222489 ((R)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...) Show SMILES C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 EGFR				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125077 (CHEMBL3623001) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N2O2/c1-16(2)15-27-17(3)14-21-20-6-4-5-7-22(20)26-24(21)25(27)19-11-8-18(9-12-19)10-13-23(28)29/h4-13,16-17,25-26H,14-15H2,1-3H3,(H,28,29)/b13-10+/t17-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189991 (CHEMBL214857 | N-(3-chloro-2-fluorophenyl)-7-metho...) Show SMILES COCCN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC Show InChI InChI=1S/C23H26ClFN4O3/c1-30-11-10-29-8-6-15(7-9-29)32-21-12-16-19(13-20(21)31-2)26-14-27-23(16)28-18-5-3-4-17(24)22(18)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50222493 ((R)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...) Show SMILES C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 EGFR				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189990 (CHEMBL215786 | N-(3-chloro-4-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-19(11-20(21)29-2)25-13-26-22(16)27-15-3-4-18(24)17(23)9-15/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50041611 ((2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRY...) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H22O2/c1-2-23(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-16-13-19(14-17-22)15-18-24(26)27/h3-18H,2H2,1H3,(H,26,27)/b18-15+,25-23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Progesterone receptor (Homo sapiens (Human))	BDBM50125054 (CHEMBL3623003 | US10130617, Example 2 | WO-2014/19...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50125077 (CHEMBL3623001) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N2O2/c1-16(2)15-27-17(3)14-21-20-6-4-5-7-22(20)26-24(21)25(27)19-11-8-18(9-12-19)10-13-23(28)29/h4-13,16-17,25-26H,14-15H2,1-3H3,(H,28,29)/b13-10+/t17-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50222491 (CHEMBL249928 | N-(2-(4-(3-chloro-4-(pyridin-2-ylme...) Show SMILES CN(CCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)CO Show InChI InChI=1S/C25H24ClN5O4/c1-31(23(33)14-32)11-12-34-22-7-4-6-20-24(22)25(29-16-28-20)30-17-8-9-21(19(26)13-17)35-15-18-5-2-3-10-27-18/h2-10,13,16,32H,11-12,14-15H2,1H3,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 ErbB2 kinase				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50072963 (CHEMBL3410548) Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCCO)cc1 |r| Show InChI InChI=1S/C20H27N5O5S/c1-14-12-30-10-8-25(14)18-11-17(13-31(2,28)29)22-19(24-18)15-3-5-16(6-4-15)23-20(27)21-7-9-26/h3-6,11,14,26H,7-10,12-13H2,1-2H3,(H2,21,23,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s...				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50125077 (CHEMBL3623001) Show SMILES CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r| Show InChI InChI=1S/C25H28N2O2/c1-16(2)15-27-17(3)14-21-20-6-4-5-7-22(20)26-24(21)25(27)19-11-8-18(9-12-19)10-13-23(28)29/h4-13,16-17,25-26H,14-15H2,1-3H3,(H,28,29)/b13-10+/t17-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to ERalpha receptor (unknown origin)				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at ERalpha receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50190003 (2-(4-(4-(5-chloro-2-fluorophenylamino)-7-methoxyqu...) Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OC1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C22H23ClFN5O3/c1-31-19-10-17-15(9-20(19)32-14-4-6-29(7-5-14)11-21(25)30)22(27-12-26-17)28-18-8-13(23)2-3-16(18)24/h2-3,8-10,12,14H,4-7,11H2,1H3,(H2,25,30)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189998 (CHEMBL385471 | N-(5-chloro-2-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-18(11-20(21)29-2)25-13-26-22(16)27-19-9-15(23)3-4-17(19)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189994 (CHEMBL276154 | N-(3-chloro-4-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1 Show InChI InChI=1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-20-10-15-18(11-19(20)28-2)24-12-25-21(15)26-13-3-4-17(23)16(22)9-13/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50125052 (CHEMBL3623004 | US10130617, Example 1 | US20240043...) Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r| Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at progesterone receptor in human MCF7 cells in presence of 0.25 uM tamoxifen				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50222489 ((R)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...) Show SMILES C[C@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Erb2 autophosphorylation by cellular clone 24 assay				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50222493 ((R)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...) Show SMILES C[C@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Erb2 autophosphorylation by cellular clone 24 assay				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Progesterone 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50125081 (CHEMBL3622997) Show SMILES C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H23ClN2O2/c1-13(22(26)27)12-25-14(2)11-18-17-5-3-4-6-19(17)24-20(18)21(25)15-7-9-16(23)10-8-15/h3-10,13-14,21,24H,11-12H2,1-2H3,(H,26,27)/t13-,14+,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at progesterone receptor in human MCF7 cells				J Med Chem 58: 8128-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00984 BindingDB Entry DOI: 10.7270/Q2F76FCN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50189992 (CHEMBL385479 | N-(3-chloro-2-fluorophenyl)-7-metho...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-19-13-18-15(12-20(19)31-9-3-6-28-7-10-30-11-8-28)22(26-14-25-18)27-17-5-2-4-16(23)21(17)24/h2,4-5,12-14H,3,6-11H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 4908-12 (2006) Article DOI: 10.1016/j.bmcl.2006.06.054 BindingDB Entry DOI: 10.7270/Q2R78DTM
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371359 (CHEMBL403774) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H26ClN5O4/c1-18(27(34)33-11-13-35-14-12-33)37-24-7-4-6-22-25(24)26(31-17-30-22)32-19-8-9-23(21(28)15-19)36-16-20-5-2-3-10-29-20/h2-10,15,17-18H,11-14,16H2,1H3,(H,30,31,32)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50222492 ((S)-N-(1-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...) Show SMILES C[C@@H](COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)N(C)C(=O)CO Show InChI InChI=1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ErbB2 kinase				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371373 (CHEMBL402507) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H29N5O4/c1-18-15-21(8-10-24(18)37-22-9-7-19(2)29-16-22)32-27-26-23(30-17-31-27)5-4-6-25(26)36-20(3)28(34)33-11-13-35-14-12-33/h4-10,15-17,20H,11-14H2,1-3H3,(H,30,31,32)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50222494 ((S)-N-(2-(4-(3-chloro-4-(pyridin-2-ylmethoxy)pheny...) Show SMILES C[C@@H](CN(C)C(=O)CO)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C26H26ClN5O4/c1-17(13-32(2)24(34)14-33)36-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12-18)35-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ErbB2 kinase				Bioorg Med Chem Lett 17: 6326-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.073 BindingDB Entry DOI: 10.7270/Q2CF9PTZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50371364 (CHEMBL428777) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair

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