Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'dominguez seoane' and Initial = 'm'   

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))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Molekulare Physiologie Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human ERalpha ligand binding domain expressed in Escherichia coli BL21 (DE3)				Nat Chem Biol 5: 585-92 (2009) Article DOI: 10.1038/nchembio.188 BindingDB Entry DOI: 10.7270/Q2MP53F2
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50323700 (CHEMBL1213616 | N-(2-(dimethylamino)ethyl)-4-((nap...) Show SMILES CN(C)CCNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C22H24N2O2/c1-24(2)14-13-23-22(25)19-9-7-17(8-10-19)16-26-21-12-11-18-5-3-4-6-20(18)15-21/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Molekulare Physiologie Curated by ChEMBL					Assay Description Inhibition of LOX5 in human whole blood assessed as inhibition of conversion of aracidonic acid to leukotrine				Nat Chem Biol 5: 585-92 (2009) Article DOI: 10.1038/nchembio.188 BindingDB Entry DOI: 10.7270/Q2MP53F2
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50323699 (2-(benzyloxy)naphthalene | 2-Benzyloxy-naphthalene...) Show SMILES C(Oc1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Molekulare Physiologie Curated by ChEMBL					Assay Description Inhibition of LOX5 in human whole blood assessed as inhibition of conversion of aracidonic acid to leukotrine				Nat Chem Biol 5: 585-92 (2009) Article DOI: 10.1038/nchembio.188 BindingDB Entry DOI: 10.7270/Q2MP53F2
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Transcriptional activation of human ERbeta receptor transfected in human U2OS cells assessed as increase of luciferase activity by estrogen response ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341434 (CHEMBL1766978 | tert-Butyl-6-hydroxy-3,4-dihydro-2...) Show SMILES CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1 Show InChI InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341435 (2-(Phenylsulfonyl)-1,2,3,4-tetrahydro-6-isoquinoli...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H15NO3S/c17-14-7-6-13-11-16(9-8-12(13)10-14)20(18,19)15-4-2-1-3-5-15/h1-7,10,17H,8-9,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341436 (2-(1-Naphthylsulfonyl)-1,2,3,4-tetrahydro-7-isoqui...) Show SMILES Oc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C19H17NO3S/c21-17-9-8-14-10-11-20(13-16(14)12-17)24(22,23)19-7-3-5-15-4-1-2-6-18(15)19/h1-9,12,21H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341437 (2-(1-Naphthylsulfonyl)-1,2,3,4-tetrahydro-6-isoqui...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C19H17NO3S/c21-17-9-8-16-13-20(11-10-15(16)12-17)24(22,23)19-7-3-5-14-4-1-2-6-18(14)19/h1-9,12,21H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341438 (2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6...) Show SMILES CS(=O)(=O)N1CCc2cc(O)ccc2C1 Show InChI InChI=1S/C10H13NO3S/c1-15(13,14)11-5-4-8-6-10(12)3-2-9(8)7-11/h2-3,6,12H,4-5,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341440 (2-Chloro-2,2-difluoro-1-(6-hydroxy-3,4-dihydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)Cl Show InChI InChI=1S/C11H10ClF2NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341441 (2,2,2-Trifluoro-1-(7-hydroxy-3,4-dihydroisoquinoli...) Show SMILES Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341442 (2,2,2-Trifluoro-1-(6-methoxy-3,4-dihydroisoquinoli...) Show SMILES COc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H12F3NO2/c1-18-10-3-2-9-7-16(5-4-8(9)6-10)11(17)12(13,14)15/h2-3,6H,4-5,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.27E+5	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341436 (2-(1-Naphthylsulfonyl)-1,2,3,4-tetrahydro-7-isoqui...) Show SMILES Oc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C19H17NO3S/c21-17-9-8-14-10-11-20(13-16(14)12-17)24(22,23)19-7-3-5-15-4-1-2-6-18(15)19/h1-9,12,21H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341437 (2-(1-Naphthylsulfonyl)-1,2,3,4-tetrahydro-6-isoqui...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C19H17NO3S/c21-17-9-8-16-13-20(11-10-15(16)12-17)24(22,23)19-7-3-5-14-4-1-2-6-18(14)19/h1-9,12,21H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341438 (2-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-6...) Show SMILES CS(=O)(=O)N1CCc2cc(O)ccc2C1 Show InChI InChI=1S/C10H13NO3S/c1-15(13,14)11-5-4-8-6-10(12)3-2-9(8)7-11/h2-3,6,12H,4-5,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341439 (2,2,2-Trichloro-1-(6-hydroxy-3,4-dihydroisoquinoli...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H10Cl3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341440 (2-Chloro-2,2-difluoro-1-(6-hydroxy-3,4-dihydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)Cl Show InChI InChI=1S/C11H10ClF2NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341441 (2,2,2-Trifluoro-1-(7-hydroxy-3,4-dihydroisoquinoli...) Show SMILES Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341442 (2,2,2-Trifluoro-1-(6-methoxy-3,4-dihydroisoquinoli...) Show SMILES COc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C12H12F3NO2/c1-18-10-3-2-9-7-16(5-4-8(9)6-10)11(17)12(13,14)15/h2-3,6H,4-5,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide ...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50341433 (2-(trifluoromethylsulfonyl)-1,2,3,4-tetrahydroisoq...) Show SMILES Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C10H10F3NO3S/c11-10(12,13)18(16,17)14-4-3-7-5-9(15)2-1-8(7)6-14/h1-2,5,15H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Transcriptional activation of human ERalpha receptor transfected in human U2OS cells assessed as increase of luciferase activity by estrogen response...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a
Institut für Molekulare Physiologie Curated by ChEMBL					Assay Description Binding affinity to human ERbeta ligand binding domain expressed in Escherichia coli BL21(DE3) cells assessed as recruitment of fluorescently labeled...				Nat Chem Biol 5: 585-92 (2009) Article DOI: 10.1038/nchembio.188 BindingDB Entry DOI: 10.7270/Q2MP53F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	275	n/a	n/a	n/a	n/a
Institut für Molekulare Physiologie Curated by ChEMBL					Assay Description Binding affinity to human ERalpha ligand binding domain expressed in Escherichia coli BL21(DE3) cells assessed as recruitment of fluorescently labele...				Nat Chem Biol 5: 585-92 (2009) Article DOI: 10.1038/nchembio.188 BindingDB Entry DOI: 10.7270/Q2MP53F2
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50341439 (2,2,2-Trichloro-1-(6-hydroxy-3,4-dihydroisoquinoli...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(Cl)(Cl)Cl Show InChI InChI=1S/C11H10Cl3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r...				J Med Chem 54: 2005-11 (2011) Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P
					More data for this Ligand-Target Pair