Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'wildonger' and Initial = 'kj'   

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))	BDBM50190350 ((1S,12R,14R)-5-hydroxy-10-methyl-14-propyltetracyc...) Show SMILES CCC[C@@H]1C[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:19| Show InChI InChI=1S/C19H22O2/c1-3-4-14-7-13-10-19(14)9-12-8-15(20)5-6-16(12)17(19)11(2)18(13)21/h5-6,8,13-14,20H,3-4,7,9-10H2,1-2H3/t13-,14-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					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 Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185859 (9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15| Show InChI InChI=1S/C23H24O2/c1-2-3-12-23-13-11-20(25)21(16-7-5-4-6-8-16)22(23)19-10-9-18(24)14-17(19)15-23/h4-10,14,24H,2-3,11-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185836 (9a-butyl-7-hydroxy-4-iodo-1,2,9,9a-tetrahydrofluor...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(I)C(=O)CC2 |t:15| Show InChI InChI=1S/C17H19IO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					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 Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair				3D Structure (crystal)
PBP2A (Staphylococcus aureus)	BDBM50217404 (CHEMBL348278) Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3C(=O)c4cccc5cccc(C3=O)c45)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:23| Show InChI InChI=1S/C23H20N2O6/c1-10-15(19(23(30)31)25-18(10)16(11(2)26)22(25)29)9-24-20(27)13-7-3-5-12-6-4-8-14(17(12)13)21(24)28/h3-8,10-11,16,18,26H,9H2,1-2H3,(H,30,31)/p-1/t10-,11+,16+,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin				Bioorg Med Chem Lett 9: 673-8 (1999) BindingDB Entry DOI: 10.7270/Q2TF00JQ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185849 ((9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...) Show SMILES CCCC[C@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15| Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185867 (9a-butyl-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-te...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)C(F)(F)F |c:15| Show InChI InChI=1S/C18H19F3O2/c1-2-3-7-17-8-6-14(23)16(18(19,20)21)15(17)13-5-4-12(22)9-11(13)10-17/h4-5,9,22H,2-3,6-8,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185860 (9a-butyl-7-hydroxy-4-propyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 |t:15| Show InChI InChI=1S/C20H26O2/c1-3-5-10-20-11-9-18(22)17(6-4-2)19(20)16-8-7-15(21)12-14(16)13-20/h7-8,12,21H,3-6,9-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
PBP2A (Staphylococcus aureus)	BDBM50217406 (CHEMBL351921) Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3C(=O)c4c(ccc5ccccc45)S3(=O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:24| Show InChI InChI=1S/C22H20N2O7S/c1-10-14(19(22(28)29)24-18(10)16(11(2)25)21(24)27)9-23-20(26)17-13-6-4-3-5-12(13)7-8-15(17)32(23,30)31/h3-8,10-11,16,18,25H,9H2,1-2H3,(H,28,29)/p-1/t10-,11+,16+,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin				Bioorg Med Chem Lett 9: 673-8 (1999) BindingDB Entry DOI: 10.7270/Q2TF00JQ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185845 (9a-butyl-7-hydroxy-4-(thiophen-2-yl)-1,2,9,9a-tetr...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15| Show InChI InChI=1S/C21H22O2S/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185851 ((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15| Show InChI InChI=1S/C17H19BrO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185859 (9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15| Show InChI InChI=1S/C23H24O2/c1-2-3-12-23-13-11-20(25)21(16-7-5-4-6-8-16)22(23)19-10-9-18(24)14-17(19)15-23/h4-10,14,24H,2-3,11-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
PBP2A (Staphylococcus aureus)	BDBM50217407 (CHEMBL161482) Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3C(=O)c4cccc5cccc(c45)S3(=O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:24| Show InChI InChI=1S/C22H20N2O7S/c1-10-14(19(22(28)29)24-18(10)16(11(2)25)21(24)27)9-23-20(26)13-7-3-5-12-6-4-8-15(17(12)13)32(23,30)31/h3-8,10-11,16,18,25H,9H2,1-2H3,(H,28,29)/p-1/t10-,11+,16+,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin				Bioorg Med Chem Lett 9: 673-8 (1999) BindingDB Entry DOI: 10.7270/Q2TF00JQ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185856 (4-bromo-7-hydroxy-9a-phenyl-1,2,9,9a-tetrahydroflu...) Show SMILES Oc1ccc2C3=C(Br)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5| Show InChI InChI=1S/C19H15BrO2/c20-18-16(22)8-9-19(13-4-2-1-3-5-13)11-12-10-14(21)6-7-15(12)17(18)19/h1-7,10,21H,8-9,11H2	PDB UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185839 (9a-butyl-4-(furan-2-yl)-7-hydroxy-1,2,9,9a-tetrahy...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1ccco1)C(=O)CC2 |t:15| Show InChI InChI=1S/C21H22O3/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185843 (4-bromo-7-hydroxy-9a-propyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:14| Show InChI InChI=1S/C16H17BrO2/c1-2-6-16-7-5-13(19)15(17)14(16)12-4-3-11(18)8-10(12)9-16/h3-4,8,18H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185855 (4-bromo-9a-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...) Show SMILES CCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:13| Show InChI InChI=1S/C15H15BrO2/c1-2-15-6-5-12(18)14(16)13(15)11-4-3-10(17)7-9(11)8-15/h3-4,7,17H,2,5-6,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50190349 ((1S,12R,15R)-5-hydroxy-10-methyl-15-propyltetracyc...) Show SMILES CCC[C@@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:20| Show InChI InChI=1S/C20H24O2/c1-3-4-15-6-5-13-10-20(15)11-14-9-16(21)7-8-17(14)18(20)12(2)19(13)22/h7-9,13,15,21H,3-6,10-11H2,1-2H3/t13-,15-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50190352 ((1S,12R,15R)-15-ethyl-5-hydroxy-10-methyltetracycl...) Show SMILES CC[C@@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:19| Show InChI InChI=1S/C19H22O2/c1-3-14-5-4-12-9-19(14)10-13-8-15(20)6-7-16(13)17(19)11(2)18(12)21/h6-8,12,14,20H,3-5,9-10H2,1-2H3/t12-,14-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185866 (9a-butyl-4-chloro-7-hydroxy-1,2,9,9a-tetrahydroflu...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(Cl)C(=O)CC2 |t:15| Show InChI InChI=1S/C17H19ClO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
PBP2A (Staphylococcus aureus)	BDBM50217403 (CHEMBL161759) Show SMILES [Na+].[H][C@]12[C@@H](C)C(CN3c4cccc5cccc(N(C)S3(=O)=O)c45)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:24| Show InChI InChI=1S/C22H23N3O6S/c1-11-14(20(22(28)29)25-19(11)17(12(2)26)21(25)27)10-24-16-9-5-7-13-6-4-8-15(18(13)16)23(3)32(24,30)31/h4-9,11-12,17,19,26H,10H2,1-3H3,(H,28,29)/p-1/t11-,12+,17+,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin				Bioorg Med Chem Lett 9: 673-8 (1999) BindingDB Entry DOI: 10.7270/Q2TF00JQ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185845 (9a-butyl-7-hydroxy-4-(thiophen-2-yl)-1,2,9,9a-tetr...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15| Show InChI InChI=1S/C21H22O2S/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185847 (7-hydroxy-4-methyl-9a-propyl-1,2,9,9a-tetrahydrofl...) Show SMILES CCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14| Show InChI InChI=1S/C17H20O2/c1-3-7-17-8-6-15(19)11(2)16(17)14-5-4-13(18)9-12(14)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50190351 ((1S,12R)-5-hydroxy-10-methyltetracyclo[10.3.1.0^{1...) Show SMILES CC1=C2c3ccc(O)cc3C[C@@]22CCC[C@H](C2)C1=O |c:1| Show InChI InChI=1S/C17H18O2/c1-10-15-14-5-4-13(18)7-12(14)9-17(15)6-2-3-11(8-17)16(10)19/h4-5,7,11,18H,2-3,6,8-9H2,1H3/t11-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50190357 ((1S,12R)-5-hydroxy-10-methyltetracyclo[10.2.1.0^{1...) Show SMILES CC1=C2c3ccc(O)cc3C[C@@]22CC[C@H](C2)C1=O |c:1| Show InChI InChI=1S/C16H16O2/c1-9-14-13-3-2-12(17)6-11(13)8-16(14)5-4-10(7-16)15(9)18/h2-3,6,10,17H,4-5,7-8H2,1H3/t10-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185864 (9a-butyl-4-ethyl-7-hydroxy-1,2,9,9a-tetrahydrofluo...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CC)C(=O)CC2 |t:15| Show InChI InChI=1S/C19H24O2/c1-3-5-9-19-10-8-17(21)15(4-2)18(19)16-7-6-14(20)11-13(16)12-19/h6-7,11,20H,3-5,8-10,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185862 (4-bromo-7-hydroxy-9a-methyl-1,2,9,9a-tetrahydroflu...) Show SMILES CC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:12| Show InChI InChI=1S/C14H13BrO2/c1-14-5-4-11(17)13(15)12(14)10-3-2-9(16)6-8(10)7-14/h2-3,6,16H,4-5,7H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50190354 ((S)-7-hydroxy-4-methyl-9a-propyl-1,2,9,9a-tetrahyd...) Show SMILES CCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:14| Show InChI InChI=1S/C17H20O2/c1-3-7-17-8-6-15(19)11(2)16(17)14-5-4-13(18)9-12(14)10-17/h4-5,9,18H,3,6-8,10H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185848 (7-hydroxy-4-methyl-9a-phenyl-1,2,9,9a-tetrahydrofl...) Show SMILES CC1=C2c3ccc(O)cc3CC2(CCC1=O)c1ccccc1 |c:1| Show InChI InChI=1S/C20H18O2/c1-13-18(22)9-10-20(15-5-3-2-4-6-15)12-14-11-16(21)7-8-17(14)19(13)20/h2-8,11,21H,9-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185842 (4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O |c:4| Show InChI InChI=1S/C21H28O2/c1-3-5-7-18-19(23)10-12-21(11-6-4-2)14-15-13-16(22)8-9-17(15)20(18)21/h8-9,13,22H,3-7,10-12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185835 (4-(furan-2-yl)-7-hydroxy-9a-phenyl-1,2,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(c4ccco4)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5| Show InChI InChI=1S/C23H18O3/c24-17-8-9-18-15(13-17)14-23(16-5-2-1-3-6-16)11-10-19(25)21(22(18)23)20-7-4-12-26-20/h1-9,12-13,24H,10-11,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185841 ((R,S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahy...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15| Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
PBP2A (Staphylococcus aureus)	BDBM50217402 (CHEMBL157932) Show SMILES [Na+].[H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C(CN3Cc4c(ccc5ccccc45)S3(=O)=O)[C@H](C)[C@]12[H] |t:11| Show InChI InChI=1S/C22H22N2O6S/c1-11-15(20(22(27)28)24-19(11)18(12(2)25)21(24)26)9-23-10-16-14-6-4-3-5-13(14)7-8-17(16)31(23,29)30/h3-8,11-12,18-19,25H,9-10H2,1-2H3,(H,27,28)/p-1/t11-,12+,18+,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin				Bioorg Med Chem Lett 9: 673-8 (1999) BindingDB Entry DOI: 10.7270/Q2TF00JQ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185857 ((S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydr...) Show SMILES CCCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15| Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185857 ((S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydr...) Show SMILES CCCC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15| Show InChI InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185837 (7-hydroxy-9a-isobutyl-4-methyl-1,2,9,9a-tetrahydro...) Show SMILES CC(C)CC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:15| Show InChI InChI=1S/C18H22O2/c1-11(2)9-18-7-6-16(20)12(3)17(18)15-5-4-14(19)8-13(15)10-18/h4-5,8,11,19H,6-7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
PBP2A (Staphylococcus aureus)	BDBM50217405 (CHEMBL159153) Show SMILES [Na+].[H][C@]1([C@@H](C)O)C(=O)N2C(C([O-])=O)=C(CN3Cc4cccc5cccc(c45)S3(=O)=O)[C@H](C)[C@]12[H] |t:11| Show InChI InChI=1S/C22H22N2O6S/c1-11-15(20(22(27)28)24-19(11)17(12(2)25)21(24)26)10-23-9-14-7-3-5-13-6-4-8-16(18(13)14)31(23,29)30/h3-8,11-12,17,19,25H,9-10H2,1-2H3,(H,27,28)/p-1/t11-,12+,17+,19+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin				Bioorg Med Chem Lett 9: 673-8 (1999) BindingDB Entry DOI: 10.7270/Q2TF00JQ
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50190356 ((S)-9a-ethyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydr...) Show SMILES CC[C@]12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:13| Show InChI InChI=1S/C16H18O2/c1-3-16-7-6-14(18)10(2)15(16)13-5-4-12(17)8-11(13)9-16/h4-5,8,17H,3,6-7,9H2,1-2H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185870 (9a-ethyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2 |t:13| Show InChI InChI=1S/C16H18O2/c1-3-16-7-6-14(18)10(2)15(16)13-5-4-12(17)8-11(13)9-16/h4-5,8,17H,3,6-7,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50185860 (9a-butyl-7-hydroxy-4-propyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2 |t:15| Show InChI InChI=1S/C20H26O2/c1-3-5-10-20-11-9-18(22)17(6-4-2)19(20)16-8-7-15(21)12-14(16)13-20/h7-8,12,21H,3-6,9-11,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185852 (7-hydroxy-3-oxo-9a-phenyl-2,3,9,9a-tetrahydro-1H-f...) Show SMILES Oc1ccc2C3=C(C#N)C(=O)CCC3(Cc2c1)c1ccccc1 |c:5| Show InChI InChI=1S/C20H15NO2/c21-12-17-18(23)8-9-20(14-4-2-1-3-5-14)11-13-10-15(22)6-7-16(13)19(17)20/h1-7,10,22H,8-9,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185865 (9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fl...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C#N)C(=O)CC2 |t:15| Show InChI InChI=1S/C18H19NO2/c1-2-3-7-18-8-6-16(21)15(11-19)17(18)14-5-4-13(20)9-12(14)10-18/h4-5,9,20H,2-3,6-8,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185842 (4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-...) Show SMILES CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O |c:4| Show InChI InChI=1S/C21H28O2/c1-3-5-7-18-19(23)10-12-21(11-6-4-2)14-15-13-16(22)8-9-17(15)20(18)21/h8-9,13,22H,3-7,10-12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50185859 (9a-butyl-7-hydroxy-4-phenyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)c1ccccc1 |c:15| Show InChI InChI=1S/C23H24O2/c1-2-3-12-23-13-11-20(25)21(16-7-5-4-6-8-16)22(23)19-10-9-18(24)14-17(19)15-23/h4-10,14,24H,2-3,11-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50190355 ((1S,12R,15S)-15-ethyl-5-hydroxy-10-methyltetracycl...) Show SMILES CC[C@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:19| Show InChI InChI=1S/C19H22O2/c1-3-14-5-4-12-9-19(14)10-13-8-15(20)6-7-16(13)17(19)11(2)18(12)21/h6-8,12,14,20H,3-5,9-10H2,1-2H3/t12-,14+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50185869 (7-hydroxy-4,9a-dimethyl-1,2,9,9a-tetrahydrofluoren...) Show SMILES CC1=C2c3ccc(O)cc3CC2(C)CCC1=O |c:1| Show InChI InChI=1S/C15H16O2/c1-9-13(17)5-6-15(2)8-10-7-11(16)3-4-12(10)14(9)15/h3-4,7,16H,5-6,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50185845 (9a-butyl-7-hydroxy-4-(thiophen-2-yl)-1,2,9,9a-tetr...) Show SMILES CCCCC12Cc3cc(O)ccc3C1=C(c1cccs1)C(=O)CC2 |t:15| Show InChI InChI=1S/C21H22O2S/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50185843 (4-bromo-7-hydroxy-9a-propyl-1,2,9,9a-tetrahydroflu...) Show SMILES CCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:14| Show InChI InChI=1S/C16H17BrO2/c1-2-6-16-7-5-13(19)15(17)14(16)12-4-3-11(18)8-10(12)9-16/h3-4,8,18H,2,5-7,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 3489-94 (2006) Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50190349 ((1S,12R,15R)-5-hydroxy-10-methyl-15-propyltetracyc...) Show SMILES CCC[C@@H]1CC[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O |t:20| Show InChI InChI=1S/C20H24O2/c1-3-4-15-6-5-13-10-20(15)11-14-9-16(21)7-8-17(14)18(20)12(2)19(13)22/h7-9,13,15,21H,3-6,10-11H2,1-2H3/t13-,15-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 4462-6 (2006) Article DOI: 10.1016/j.bmcl.2006.06.043 BindingDB Entry DOI: 10.7270/Q2V124DH
					More data for this Ligand-Target Pair

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