Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50011447   

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))	BDBM50106632 (4-[2-(4-hydroxyphenyl)-3-butynyl]phenol | CHEMBL33...) Show SMILES Oc1ccc(CC(C#C)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H14O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h1,3-10,13,17-18H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	n/a	n/a	0.0180	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106634 ((S)-3-(4-Hydroxy-phenyl)-2-((R)-4-hydroxy-phenyl)-...) Show SMILES C[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H15NO2/c1-11(12-2-6-14(18)7-3-12)16(10-17)13-4-8-15(19)9-5-13/h2-9,11,16,18-19H,1H3/t11-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106636 (2,3-Bis-(4-hydroxy-phenyl)-propionic acid methyl e...) Show SMILES COC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H16O4/c1-20-16(19)15(12-4-8-14(18)9-5-12)10-11-2-6-13(17)7-3-11/h2-9,15,17-18H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106637 (4-[2-(4-hydroxyphenyl)-3-pentynyl]phenol | CHEMBL1...) Show SMILES CC#CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H16O2/c1-2-3-15(14-6-10-17(19)11-7-14)12-13-4-8-16(18)9-5-13/h4-11,15,18-19H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106638 (2,3-Bis-(4-hydroxy-phenyl)-2-methyl-propionitrile ...) Show SMILES CC(Cc1ccc(O)cc1)(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H15NO2/c1-16(11-17,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9,18-19H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106638 (2,3-Bis-(4-hydroxy-phenyl)-2-methyl-propionitrile ...) Show SMILES CC(Cc1ccc(O)cc1)(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H15NO2/c1-16(11-17,13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9,18-19H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106639 (1,1,1-Trifluoro-3,4-bis-(4-hydroxy-phenyl)-butan-2...) Show SMILES Oc1ccc(CC(C(=O)C(F)(F)F)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)15(22)14(11-3-7-13(21)8-4-11)9-10-1-5-12(20)6-2-10/h1-8,14,20-21H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106640 (4-[3,3,4,4,4-pentafluoro-2-(4-hydroxyphenyl)butyl]...) Show SMILES Oc1ccc(CC(c2ccc(O)cc2)C(F)(F)C(F)(F)F)cc1 Show InChI InChI=1S/C16H13F5O2/c17-15(18,16(19,20)21)14(11-3-7-13(23)8-4-11)9-10-1-5-12(22)6-2-10/h1-8,14,22-23H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106642 (4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]pheno...) Show SMILES Oc1ccc(CC(c2ccc(O)cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H13F3O2/c16-15(17,18)14(11-3-7-13(20)8-4-11)9-10-1-5-12(19)6-2-10/h1-8,14,19-20H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106641 (2,3-Bis-(4-hydroxy-phenyl)-acrylonitrile | CHEMBL3...) Show SMILES Oc1ccc(\C=C(/C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H11NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,17-18H/b13-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	95	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106634 ((S)-3-(4-Hydroxy-phenyl)-2-((R)-4-hydroxy-phenyl)-...) Show SMILES C[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H15NO2/c1-11(12-2-6-14(18)7-3-12)16(10-17)13-4-8-15(19)9-5-13/h2-9,11,16,18-19H,1H3/t11-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106643 (3-(4-Hydroxy-2-methyl-phenyl)-2-(4-hydroxy-phenyl)...) Show SMILES Cc1cc(O)ccc1CC(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H15NO2/c1-11-8-16(19)7-4-13(11)9-14(10-17)12-2-5-15(18)6-3-12/h2-8,14,18-19H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.370	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106644 (2,3-Bis-(4-hydroxy-phenyl)-succinonitrile | CHEMBL...) Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-1-5-13(19)6-2-11)16(10-18)12-3-7-14(20)8-4-12/h1-8,15-16,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106646 ((S)-3-(4-Hydroxy-phenyl)-2-((R)-4-hydroxy-phenyl)-...) Show SMILES CC[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H17NO2/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-17,19-20H,2H2,1H3/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.0640	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106641 (2,3-Bis-(4-hydroxy-phenyl)-acrylonitrile | CHEMBL3...) Show SMILES Oc1ccc(\C=C(/C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H11NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-9,17-18H/b13-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106646 ((S)-3-(4-Hydroxy-phenyl)-2-((R)-4-hydroxy-phenyl)-...) Show SMILES CC[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H17NO2/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-17,19-20H,2H2,1H3/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106632 (4-[2-(4-hydroxyphenyl)-3-butynyl]phenol | CHEMBL33...) Show SMILES Oc1ccc(CC(C#C)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H14O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h1,3-10,13,17-18H,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106645 (2-(4-Hydroxy-2-methyl-phenyl)-3-(4-hydroxy-phenyl)...) Show SMILES Cc1cc(O)ccc1C(Cc1ccc(O)cc1)C#N Show InChI InChI=1S/C16H15NO2/c1-11-8-15(19)6-7-16(11)13(10-17)9-12-2-4-14(18)5-3-12/h2-8,13,18-19H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106640 (4-[3,3,4,4,4-pentafluoro-2-(4-hydroxyphenyl)butyl]...) Show SMILES Oc1ccc(CC(c2ccc(O)cc2)C(F)(F)C(F)(F)F)cc1 Show InChI InChI=1S/C16H13F5O2/c17-15(18,16(19,20)21)14(11-3-7-13(23)8-4-11)9-10-1-5-12(22)6-2-10/h1-8,14,22-23H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106642 (4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]pheno...) Show SMILES Oc1ccc(CC(c2ccc(O)cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H13F3O2/c16-15(17,18)14(11-3-7-13(20)8-4-11)9-10-1-5-12(19)6-2-10/h1-8,14,19-20H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106633 (3,4-Bis-(4-hydroxy-phenyl)-butyronitrile | CHEMBL1...) Show SMILES Oc1ccc(C[C@@H](CC#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H15NO2/c17-10-9-14(13-3-7-16(19)8-4-13)11-12-1-5-15(18)6-2-12/h1-8,14,18-19H,9,11H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106645 (2-(4-Hydroxy-2-methyl-phenyl)-3-(4-hydroxy-phenyl)...) Show SMILES Cc1cc(O)ccc1C(Cc1ccc(O)cc1)C#N Show InChI InChI=1S/C16H15NO2/c1-11-8-15(19)6-7-16(11)13(10-17)9-12-2-4-14(18)5-3-12/h2-8,13,18-19H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106636 (2,3-Bis-(4-hydroxy-phenyl)-propionic acid methyl e...) Show SMILES COC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H16O4/c1-20-16(19)15(12-4-8-14(18)9-5-12)10-11-2-6-13(17)7-3-11/h2-9,15,17-18H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106647 (2-(4-Hydroxy-phenyl)-3-(3-hydroxy-phenyl)-succinon...) Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1cccc(O)c1 Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-4-6-13(19)7-5-11)16(10-18)12-2-1-3-14(20)8-12/h1-8,15-16,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106644 (2,3-Bis-(4-hydroxy-phenyl)-succinonitrile | CHEMBL...) Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-1-5-13(19)6-2-11)16(10-18)12-3-7-14(20)8-4-12/h1-8,15-16,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.420	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106643 (3-(4-Hydroxy-2-methyl-phenyl)-2-(4-hydroxy-phenyl)...) Show SMILES Cc1cc(O)ccc1CC(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H15NO2/c1-11-8-16(19)7-4-13(11)9-14(10-17)12-2-5-15(18)6-3-12/h2-8,14,18-19H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106648 (2-(4-Hydroxy-benzyl)-2-(4-hydroxy-phenyl)-malononi...) Show SMILES Oc1ccc(CC(C#N)(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H12N2O2/c17-10-16(11-18,13-3-7-15(20)8-4-13)9-12-1-5-14(19)6-2-12/h1-8,19-20H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106635 ((+/-)-2,3-bis(4-hydroxyphenyl)propanenitrile | 2,3...) Show SMILES Oc1ccc(CC(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50106644 (2,3-Bis-(4-hydroxy-phenyl)-succinonitrile | CHEMBL...) Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-1-5-13(19)6-2-11)16(10-18)12-3-7-14(20)8-4-12/h1-8,15-16,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106647 (2-(4-Hydroxy-phenyl)-3-(3-hydroxy-phenyl)-succinon...) Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1cccc(O)c1 Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-4-6-13(19)7-5-11)16(10-18)12-2-1-3-14(20)8-12/h1-8,15-16,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106639 (1,1,1-Trifluoro-3,4-bis-(4-hydroxy-phenyl)-butan-2...) Show SMILES Oc1ccc(CC(C(=O)C(F)(F)F)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)15(22)14(11-3-7-13(21)8-4-11)9-10-1-5-12(20)6-2-10/h1-8,14,20-21H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	464	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106644 (2,3-Bis-(4-hydroxy-phenyl)-succinonitrile | CHEMBL...) Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1ccc(O)cc1 Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-1-5-13(19)6-2-11)16(10-18)12-3-7-14(20)8-4-12/h1-8,15-16,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.410	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106648 (2-(4-Hydroxy-benzyl)-2-(4-hydroxy-phenyl)-malononi...) Show SMILES Oc1ccc(CC(C#N)(C#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H12N2O2/c17-10-16(11-18,13-3-7-15(20)8-4-13)9-12-1-5-14(19)6-2-12/h1-8,19-20H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106650 (3,4-Bis-(4-hydroxy-phenyl)-butan-2-one | CHEMBL135...) Show SMILES CC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H16O3/c1-11(17)16(13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9,16,18-19H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106649 (4-[1-(1-ethynyl)-2-(4-hydroxyphenyl)-3-butynyl]phe...) Show SMILES Oc1ccc(cc1)C(C#C)C(C#C)c1ccc(O)cc1 Show InChI InChI=1S/C18H14O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h1-2,5-12,17-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106649 (4-[1-(1-ethynyl)-2-(4-hydroxyphenyl)-3-butynyl]phe...) Show SMILES Oc1ccc(cc1)C(C#C)C(C#C)c1ccc(O)cc1 Show InChI InChI=1S/C18H14O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h1-2,5-12,17-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50106650 (3,4-Bis-(4-hydroxy-phenyl)-butan-2-one | CHEMBL135...) Show SMILES CC(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H16O3/c1-11(17)16(13-4-8-15(19)9-5-13)10-12-2-6-14(18)7-3-12/h2-9,16,18-19H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50106637 (4-[2-(4-hydroxyphenyl)-3-pentynyl]phenol | CHEMBL1...) Show SMILES CC#CC(Cc1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H16O2/c1-2-3-15(14-6-10-17(19)11-7-14)12-13-4-8-16(18)9-5-13/h4-11,15,18-19H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.380	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	n/a	n/a	0.0390	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50106633 (3,4-Bis-(4-hydroxy-phenyl)-butyronitrile | CHEMBL1...) Show SMILES Oc1ccc(C[C@@H](CC#N)c2ccc(O)cc2)cc1 Show InChI InChI=1S/C16H15NO2/c17-10-9-14(13-3-7-16(19)8-4-13)11-12-1-5-15(18)6-2-12/h1-8,14,18-19H,9,11H2/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha				J Med Chem 44: 4230-51 (2001) BindingDB Entry DOI: 10.7270/Q289155W
					More data for this Ligand-Target Pair