Compile Data Set for Download or QSAR

Found 311 hits with Last Name = 'ratcliffe' and Initial = 'rw'   

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))	BDBM50187939 ((S)-9a-butyl-6-ethyl-1-fluoro-8,9,9a,10-tetrahydro...) Show SMILES CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(CC)C(=O)CC2 |t:19| Show InChI InChI=1S/C20H23FN2O/c1-3-5-9-20-10-8-16(24)12(4-2)18(20)13-6-7-15-17(14(13)11-20)19(21)23-22-15/h6-7H,3-5,8-11H2,1-2H3,(H,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187954 ((S)-9a-ethyl-1-fluoro-6-(trifluoromethyl)-8,9,9a,1...) Show SMILES CC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F |c:17| Show InChI InChI=1S/C17H14F4N2O/c1-2-16-6-5-11(24)14(17(19,20)21)13(16)8-3-4-10-12(9(8)7-16)15(18)23-22-10/h3-4H,2,5-7H2,1H3,(H,22,23)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187941 ((S)-9a-butyl-6-(trifluoromethyl)-8,9,9a,10-tetrahy...) Show SMILES CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:18| Show InChI InChI=1S/C19H19F3N2O/c1-2-3-7-18-8-6-15(25)17(19(20,21)22)16(18)11-4-5-14-13(10-23-24-14)12(11)9-18/h4-5,10H,2-3,6-9H2,1H3,(H,23,24)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187956 ((R)-9a-butyl-6-(trifluoromethyl)-9,9a-dihydroinden...) Show SMILES CCCC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F |c:9| Show InChI InChI=1S/C19H17F3N2O2/c1-2-3-7-18-8-6-13(25)16(19(20,21)22)15(18)10-4-5-12-11(9-23-24-12)14(10)17(18)26/h4-5,9H,2-3,6-8H2,1H3,(H,23,24)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
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))	BDBM50187968 ((S)-9a-butyl-1-fluoro-6-(trifluoromethyl)-8,9,9a,1...) Show SMILES CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F |c:19| Show InChI InChI=1S/C19H18F4N2O/c1-2-3-7-18-8-6-13(26)16(19(21,22)23)15(18)10-4-5-12-14(11(10)9-18)17(20)25-24-12/h4-5H,2-3,6-9H2,1H3,(H,24,25)/t18-/m0/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 ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187944 ((S)-6-chloro-9a-ethyl-1-fluoro-8,9,9a,10-tetrahydr...) Show SMILES CC[C@]12Cc3c(ccc4[nH]nc(F)c34)C1=C(Cl)C(=O)CC2 |t:17| Show InChI InChI=1S/C16H14ClFN2O/c1-2-16-6-5-11(21)14(17)13(16)8-3-4-10-12(9(8)7-16)15(18)20-19-10/h3-4H,2,5-7H2,1H3,(H,19,20)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187973 ((S)-9a-butyl-6-ethyl-8,9,9a,10-tetrahydroindeno[2,...) Show SMILES CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(CC)C(=O)CC2 |t:18| Show InChI InChI=1S/C20H24N2O/c1-3-5-9-20-10-8-18(23)13(4-2)19(20)14-6-7-17-16(12-21-22-17)15(14)11-20/h6-7,12H,3-5,8-11H2,1-2H3,(H,21,22)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					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	1.10	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: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	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 human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	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 (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)
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 human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	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 human ERalpha				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187964 ((S)-9a-ethyl-6-phenyl-8,9,9a,10-tetrahydroindeno[2...) Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)c1ccccc1 |c:16| Show InChI InChI=1S/C22H20N2O/c1-2-22-11-10-19(25)20(14-6-4-3-5-7-14)21(22)15-8-9-18-17(13-23-24-18)16(15)12-22/h3-9,13H,2,10-12H2,1H3,(H,23,24)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
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))	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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187943 ((R)-9a-ethyl-6-(trifluoromethyl)-9,9a-dihydroinden...) Show SMILES CC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F |c:7| Show InChI InChI=1S/C17H13F3N2O2/c1-2-16-6-5-11(23)14(17(18,19)20)13(16)8-3-4-10-9(7-21-22-10)12(8)15(16)24/h3-4,7H,2,5-6H2,1H3,(H,21,22)/t16-/m1/s1	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 human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					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)
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))	BDBM50187966 ((S)-6-bromo-9a-(2-cyclopropyl-ethyl)-8,9,9a,10-tet...) Show SMILES BrC1=C2c3ccc4[nH]ncc4c3C[C@]2(CCC2CC2)CCC1=O |c:1| Show InChI InChI=1S/C19H19BrN2O/c20-18-16(23)6-8-19(7-5-11-1-2-11)9-13-12(17(18)19)3-4-15-14(13)10-21-22-15/h3-4,10-11H,1-2,5-9H2,(H,21,22)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187959 (CHEMBL211870 | rac-6-bromo-9a-ethyl-1-fluoro-8,9,9...) Show SMILES CCC12Cc3c(ccc4[nH]nc(F)c34)C1=C(Br)C(=O)CC2 |t:17| Show InChI InChI=1S/C16H14BrFN2O/c1-2-16-6-5-11(21)14(17)13(16)8-3-4-10-12(9(8)7-16)15(18)20-19-10/h3-4H,2,5-7H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50189077 ((+/-)-6-bromo-9a-butyl-8,9,9a,10-tetrahydro-3H-1,2...) Show SMILES CCCCC12Cc3c(ccc4nn[nH]c34)C1=C(Br)C(=O)CC2 |t:18| Show InChI InChI=1S/C17H18BrN3O/c1-2-3-7-17-8-6-13(22)15(18)14(17)10-4-5-12-16(11(10)9-17)20-21-19-12/h4-5H,2-3,6-9H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 16: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					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 human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187947 ((S)-6-bromo-9a-ethyl-8,9,9a,10-tetrahydroindeno[2,...) Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:16| Show InChI InChI=1S/C16H15BrN2O/c1-2-16-6-5-13(20)15(17)14(16)9-3-4-12-11(8-18-19-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,18,19)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50189069 ((S)(-)-9a-butyl-6-thiophen-2-yl-8,9,9a,10-tetrahyd...) Show SMILES CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(c1cccs1)C(=O)CC2 |t:18| Show InChI InChI=1S/C21H21N3OS/c1-2-3-9-21-10-8-16(25)18(17-5-4-11-26-17)19(21)13-6-7-15-20(14(13)12-21)23-24-22-15/h4-7,11H,2-3,8-10,12H2,1H3,(H,22,23,24)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	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: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					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))	BDBM50187971 ((S)-9a-ethyl-6-(trifluoromethyl)-8,9,9a,10-tetrahy...) Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F |c:16| Show InChI InChI=1S/C17H15F3N2O/c1-2-16-6-5-13(23)15(17(18,19)20)14(16)9-3-4-12-11(8-21-22-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					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))	BDBM50189067 ((S)-9a-butyl-6-trifluoromethyl-8,9,9a,10-tetrahydr...) Show SMILES CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(C(=O)CC2)C(F)(F)F |c:18| Show InChI InChI=1S/C18H18F3N3O/c1-2-3-7-17-8-6-13(25)15(18(19,20)21)14(17)10-4-5-12-16(11(10)9-17)23-24-22-12/h4-5H,2-3,6-9H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	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: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187965 ((R)-6-bromo-9a-(cyclopropylmethyl)-8,9,9a,10-tetra...) Show SMILES BrC1=C2c3ccc4[nH]ncc4c3C[C@]2(CC2CC2)CCC1=O |c:1| Show InChI InChI=1S/C18H17BrN2O/c19-17-15(22)5-6-18(7-10-1-2-10)8-12-11(16(17)18)3-4-14-13(12)9-20-21-14/h3-4,9-10H,1-2,5-8H2,(H,20,21)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187949 (CHEMBL211953 | rac-6,9a-diethyl-8,9,9a,10-tetrahyd...) Show SMILES CCC1=C2c3ccc4[nH]ncc4c3CC2(CC)CCC1=O |c:2| Show InChI InChI=1S/C18H20N2O/c1-3-11-16(21)7-8-18(4-2)9-13-12(17(11)18)5-6-15-14(13)10-19-20-15/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187972 ((R)-6-chloro-9a-ethyl-9,9a-dihydroindeno[2,1-e]ind...) Show SMILES CC[C@@]12CCC(=O)C(Cl)=C1c1ccc3[nH]ncc3c1C2=O |c:8| Show InChI InChI=1S/C16H13ClN2O2/c1-2-16-6-5-11(20)14(17)13(16)8-3-4-10-9(7-18-19-10)12(8)15(16)21/h3-4,7H,2,5-6H2,1H3,(H,18,19)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					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))	BDBM50187974 (CHEMBL212185 | rac-6-bromo-9a-butyl-8,9,9a,10-tetr...) Show SMILES CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:18| Show InChI InChI=1S/C18H19BrN2O/c1-2-3-7-18-8-6-15(22)17(19)16(18)11-4-5-14-13(10-20-21-14)12(11)9-18/h4-5,10H,2-3,6-9H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					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))	BDBM50189078 ((S)(-)-9a-Butyl-6-ethyl-8,9,9a,10-tetrahydro-3H-1,...) Show SMILES CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(CC)C(=O)CC2 |t:18| Show InChI InChI=1S/C19H23N3O/c1-3-5-9-19-10-8-16(23)12(4-2)17(19)13-6-7-15-18(14(13)11-19)21-22-20-15/h6-7H,3-5,8-11H2,1-2H3,(H,20,21,22)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	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: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187962 ((S)-methyl 9a-butyl-7-oxo-3,7,8,9,9a,10-hexahydroi...) Show SMILES CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)OC)C(=O)CC2 |t:18| Show InChI InChI=1S/C20H22N2O3/c1-3-4-8-20-9-7-16(23)17(19(24)25-2)18(20)12-5-6-15-14(11-21-22-15)13(12)10-20/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,22)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187948 (CHEMBL380032 | rac-6-bromo-9a-propyl-8,9,9a,10-tet...) Show SMILES CCCC12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2 |t:17| Show InChI InChI=1S/C17H17BrN2O/c1-2-6-17-7-5-14(21)16(18)15(17)10-3-4-13-12(9-19-20-13)11(10)8-17/h3-4,9H,2,5-8H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 3896-901 (2006) Article DOI: 10.1016/j.bmcl.2006.05.036 BindingDB Entry DOI: 10.7270/Q24T6J01
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50189080 ((S)(-)-6,9a-diethyl-8,9,9a,10-tetrahydro-3H-1,2,3-...) Show SMILES CCC1=C2c3ccc4nn[nH]c4c3C[C@]2(CC)CCC1=O |c:2| Show InChI InChI=1S/C17H19N3O/c1-3-10-14(21)7-8-17(4-2)9-12-11(15(10)17)5-6-13-16(12)19-20-18-13/h5-6H,3-4,7-9H2,1-2H3,(H,18,19,20)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	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: 4652-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG
					More data for this Ligand-Target Pair

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