Compile Data Set for Download or QSAR

Found 382 hits with Last Name = 'scanlan' and Initial = 'ts'   

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 beta (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	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173652 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(OCCN2CCCCC2)cc1 |t:8| Show InChI InChI=1S/C28H29NO3/c30-23-8-4-20(5-9-23)27-19-22-18-24(31)10-13-26(22)28(27)21-6-11-25(12-7-21)32-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173663 (4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3H-inden-1-yl]-b...) Show SMILES NC(=O)c1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:10| Show InChI InChI=1S/C22H17NO3/c23-22(26)15-3-1-14(2-4-15)21-19-10-9-18(25)11-16(19)12-20(21)13-5-7-17(24)8-6-13/h1-11,24-25H,12H2,(H2,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173654 (1-(4-Chloro-phenyl)-2-(4-hydroxy-phenyl)-3H-inden-...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C21H15ClO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50173655 (1-(4-Amino-phenyl)-2-(4-hydroxy-phenyl)-3H-inden-5...) Show SMILES Nc1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:8| Show InChI InChI=1S/C21H17NO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173660 (2-(4-Hydroxy-phenyl)-1-(4-trifluoromethyl-phenyl)-...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(cc1)C(F)(F)F |t:8| Show InChI InChI=1S/C22H15F3O2/c23-22(24,25)16-5-1-14(2-6-16)21-19-10-9-18(27)11-15(19)12-20(21)13-3-7-17(26)8-4-13/h1-11,26-27H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173668 (2-(4-Hydroxy-phenyl)-1-p-tolyl-3H-inden-5-ol | CHE...) Show SMILES Cc1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:8| Show InChI InChI=1S/C22H18O2/c1-14-2-4-16(5-3-14)22-20-11-10-19(24)12-17(20)13-21(22)15-6-8-18(23)9-7-15/h2-12,23-24H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173659 (1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol | CHEMBL2...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(O)cc1 |t:8| Show InChI InChI=1S/C21H16O3/c22-16-5-1-13(2-6-16)20-12-15-11-18(24)9-10-19(15)21(20)14-3-7-17(23)8-4-14/h1-11,22-24H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (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	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity towards human estrogen receptor beta in a competitive binding assay using fluorescently labelled estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50173652 (2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(OCCN2CCCCC2)cc1 |t:8| Show InChI InChI=1S/C28H29NO3/c30-23-8-4-20(5-9-23)27-19-22-18-24(31)10-13-26(22)28(27)21-6-11-25(12-7-21)32-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50173660 (2-(4-Hydroxy-phenyl)-1-(4-trifluoromethyl-phenyl)-...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(cc1)C(F)(F)F |t:8| Show InChI InChI=1S/C22H15F3O2/c23-22(24,25)16-5-1-14(2-6-16)21-19-10-9-18(27)11-15(19)12-20(21)13-3-7-17(26)8-4-13/h1-11,26-27H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173655 (1-(4-Amino-phenyl)-2-(4-hydroxy-phenyl)-3H-inden-5...) Show SMILES Nc1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:8| Show InChI InChI=1S/C21H17NO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173658 (1-(4-Fluoro-phenyl)-2-(4-hydroxy-phenyl)-3H-inden-...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(F)cc1 |t:8| Show InChI InChI=1S/C21H15FO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173657 (1-{4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3H-inden-1-yl...) Show SMILES CC(=O)c1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:10| Show InChI InChI=1S/C23H18O3/c1-14(24)15-2-4-17(5-3-15)23-21-11-10-20(26)12-18(21)13-22(23)16-6-8-19(25)9-7-16/h2-12,25-26H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50173663 (4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3H-inden-1-yl]-b...) Show SMILES NC(=O)c1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:10| Show InChI InChI=1S/C22H17NO3/c23-22(26)15-3-1-14(2-4-15)21-19-10-9-18(25)11-16(19)12-20(21)13-5-7-17(24)8-6-13/h1-11,24-25H,12H2,(H2,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity towards human estrogen receptor alpha in a competitive binding assay using fluorescently labelled estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50173657 (1-{4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3H-inden-1-yl...) Show SMILES CC(=O)c1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:10| Show InChI InChI=1S/C23H18O3/c1-14(24)15-2-4-17(5-3-15)23-21-11-10-20(26)12-18(21)13-22(23)16-6-8-19(25)9-7-16/h2-12,25-26H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50173659 (1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol | CHEMBL2...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(O)cc1 |t:8| Show InChI InChI=1S/C21H16O3/c22-16-5-1-13(2-6-16)20-12-15-11-18(24)9-10-19(15)21(20)14-3-7-17(23)8-4-14/h1-11,22-24H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173656 (1-(4-Bromomethyl-phenyl)-2-(4-hydroxy-phenyl)-3H-i...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(CBr)cc1 |t:8| Show InChI InChI=1S/C22H17BrO2/c23-13-14-1-3-16(4-2-14)22-20-10-9-19(25)11-17(20)12-21(22)15-5-7-18(24)8-6-15/h1-11,24-25H,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50173654 (1-(4-Chloro-phenyl)-2-(4-hydroxy-phenyl)-3H-inden-...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C21H15ClO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50173656 (1-(4-Bromomethyl-phenyl)-2-(4-hydroxy-phenyl)-3H-i...) Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O)cc2C1)c1ccc(CBr)cc1 |t:8| Show InChI InChI=1S/C22H17BrO2/c23-13-14-1-3-16(4-2-14)22-20-10-9-19(25)11-17(20)12-21(22)15-5-7-18(24)8-6-15/h1-11,24-25H,12-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173665 (3-Ethyl-6-hydroxy-2-(4-hydroxy-phenyl)-1H-indene-1...) Show SMILES CCC1=C(C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc12)c1ccc(O)cc1 |t:2| Show InChI InChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50173665 (3-Ethyl-6-hydroxy-2-(4-hydroxy-phenyl)-1H-indene-1...) Show SMILES CCC1=C(C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc12)c1ccc(O)cc1 |t:2| Show InChI InChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	184	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50173669 (4-[5-Hydroxy-2-(4-hydroxy-phenyl)-3H-inden-1-yl]-b...) Show SMILES OC(=O)c1ccc(cc1)C1=C(Cc2cc(O)ccc12)c1ccc(O)cc1 |t:10| Show InChI InChI=1S/C22H16O4/c23-17-7-5-13(6-8-17)20-12-16-11-18(24)9-10-19(16)21(20)14-1-3-15(4-2-14)22(25)26/h1-11,23-24H,12H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	421	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol				J Med Chem 48: 5989-6003 (2005) Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153502 (1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...) Show SMILES CCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |t:10| Show InChI InChI=1S/C23H29FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h9-13,15,20,22,27H,3-8,14H2,1-2H3/t20-,22?,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153512 ((9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydr...) Show SMILES C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(O)=O |c:11,t:7| Show InChI InChI=1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11-,14?,15+,16+,18+,19+,20+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153508 (Benzo[b]thiophen-3-yl-[(4aR,5S)-1-(4-fluoro-phenyl...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1csc2ccccc12)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C27H25FN2OS/c1-27-14-17-15-29-30(20-11-9-19(28)10-12-20)24(17)13-18(27)5-4-7-23(27)26(31)22-16-32-25-8-3-2-6-21(22)25/h2-3,6,8-13,15-16,23,26,31H,4-5,7,14H2,1H3/t23-,26?,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153504 (CHEMBL366093 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...) Show SMILES COc1cccc(c1)C(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |t:15| Show InChI InChI=1S/C26H27FN2O2/c1-26-15-18-16-28-29(21-11-9-20(27)10-12-21)24(18)14-19(26)6-4-8-23(26)25(30)17-5-3-7-22(13-17)31-2/h3,5,7,9-14,16,23,25,30H,4,6,8,15H2,1-2H3/t23-,25?,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153507 (CHEMBL186948 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc2ccccc2c1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C29H27FN2O/c1-29-17-22-18-31-32(25-13-11-24(30)12-14-25)27(22)16-23(29)7-4-8-26(29)28(33)21-10-9-19-5-2-3-6-20(19)15-21/h2-3,5-6,9-16,18,26,28,33H,4,7-8,17H2,1H3/t26-,28?,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153519 (CHEMBL186954 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...) Show SMILES Cc1ccc(cc1)C(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |t:14| Show InChI InChI=1S/C26H27FN2O/c1-17-6-8-18(9-7-17)25(30)23-5-3-4-20-14-24-19(15-26(20,23)2)16-28-29(24)22-12-10-21(27)11-13-22/h6-14,16,23,25,30H,3-5,15H2,1-2H3/t23-,25?,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153515 (1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...) Show SMILES CCCCCCCCC(O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1 |t:14| Show InChI InChI=1S/C27H37FN2O/c1-3-4-5-6-7-8-12-26(31)24-11-9-10-21-17-25-20(18-27(21,24)2)19-29-30(25)23-15-13-22(28)14-16-23/h13-17,19,24,26,31H,3-12,18H2,1-2H3/t24-,26?,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50153512 ((9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydr...) Show SMILES C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(O)=O |c:11,t:7| Show InChI InChI=1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11-,14?,15+,16+,18+,19+,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Binding affinity for recombinant human glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153503 (3-{[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1cccc(O)c1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C25H25FN2O2/c1-25-14-17-15-27-28(20-10-8-19(26)9-11-20)23(17)13-18(25)5-3-7-22(25)24(30)16-4-2-6-21(29)12-16/h2,4,6,8-13,15,22,24,29-30H,3,5,7,14H2,1H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153511 (1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)Cc1ccccc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C26H27FN2O/c1-26-16-19-17-28-29(22-12-10-21(27)11-13-22)24(19)15-20(26)8-5-9-23(26)25(30)14-18-6-3-2-4-7-18/h2-4,6-7,10-13,15,17,23,25,30H,5,8-9,14,16H2,1H3/t23-,25?,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153514 (4-{[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(O)cc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C25H25FN2O2/c1-25-14-17-15-27-28(20-9-7-19(26)8-10-20)23(17)13-18(25)3-2-4-22(25)24(30)16-5-11-21(29)12-6-16/h5-13,15,22,24,29-30H,2-4,14H2,1H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153506 ((4-Chloro-phenyl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(Cl)cc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C25H24ClFN2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153509 (CHEMBL181601 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccccc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153513 (1-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)CCc1ccccc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C27H29FN2O/c1-27-17-20-18-29-30(23-13-11-22(28)12-14-23)25(20)16-21(27)8-5-9-24(27)26(31)15-10-19-6-3-2-4-7-19/h2-4,6-7,11-14,16,18,24,26,31H,5,8-10,15,17H2,1H3/t24-,26?,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153501 ((4-Fluoro-phenyl)-[(4aR,5S)-1-(4-fluoro-phenyl)-4a...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(F)cc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153510 (CHEMBL360248 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(cc1)C(F)(F)F)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C26H24F4N2O/c1-25-14-17-15-31-32(21-11-9-20(27)10-12-21)23(17)13-19(25)3-2-4-22(25)24(33)16-5-7-18(8-6-16)26(28,29)30/h5-13,15,22,24,33H,2-4,14H2,1H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (RAT)	BDBM50153517 (CHEMBL182827 | [(4aR,5S)-1-(4-Fluoro-phenyl)-4a-me...) Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2C(O)c1ccc(Oc2ccccc2)cc1)-c1ccc(F)cc1 |c:9| Show InChI InChI=1S/C31H29FN2O2/c1-31-19-22-20-33-34(25-14-12-24(32)13-15-25)29(22)18-23(31)6-5-9-28(31)30(35)21-10-16-27(17-11-21)36-26-7-3-2-4-8-26/h2-4,7-8,10-18,20,28,30,35H,5-6,9,19H2,1H3/t28-,30?,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Inhibition against U2OS cells expressing rat Glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50153518 (5-(Benzo[b]thiophen-3-yl-hydroxy-methyl)-4a-methyl...) Show SMILES CC12CCC(=O)C=C1CCCC2C(O)c1csc2ccccc12 |c:6| Show InChI InChI=1S/C20H22O2S/c1-20-10-9-14(21)11-13(20)5-4-7-17(20)19(22)16-12-23-18-8-3-2-6-15(16)18/h2-3,6,8,11-12,17,19,22H,4-5,7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Binding affinity for recombinant human glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18885 (2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)				J Med Chem 45: 3310-20 (2002) BindingDB Entry DOI: 10.7270/Q20G3JHX
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18884 (2-(4-{[4-hydroxy-3-(4-nitrophenyl)-5-(propan-2-yl)...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)				J Med Chem 45: 3310-20 (2002) BindingDB Entry DOI: 10.7270/Q20G3JHX
					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18885 (2-[4-({4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-(p...) Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O Show InChI InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Half-maximum activation of human Thyroid hormone receptor alpha1 (hTRalpha1)				J Med Chem 45: 3310-20 (2002) BindingDB Entry DOI: 10.7270/Q20G3JHX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50153505 (5-[Hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-4a-me...) Show SMILES COc1cc(cc(OC)c1OC)C(O)C1CCCC2=CC(=O)CCC12C |t:19| Show InChI InChI=1S/C21H28O5/c1-21-9-8-15(22)12-14(21)6-5-7-16(21)19(23)13-10-17(24-2)20(26-4)18(11-13)25-3/h10-12,16,19,23H,5-9H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Binding affinity for recombinant human glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50153516 (5-(Hydroxy-phenyl-methyl)-4a-methyl-4,4a,5,6,7,8-h...) Show SMILES CC12CCC(=O)C=C1CCCC2C(O)c1ccccc1 |c:6| Show InChI InChI=1S/C18H22O2/c1-18-11-10-15(19)12-14(18)8-5-9-16(18)17(20)13-6-3-2-4-7-13/h2-4,6-7,12,16-17,20H,5,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California--San Francisco Curated by ChEMBL					Assay Description Binding affinity for recombinant human glucocorticoid receptor				Bioorg Med Chem Lett 14: 5199-203 (2004) Article DOI: 10.1016/j.bmcl.2004.07.052 BindingDB Entry DOI: 10.7270/Q2G73D65
					More data for this Ligand-Target Pair

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