Compile Data Set for Download or QSAR

Found 345 hits with Last Name = 'greenlee' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272468 ((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...) Show SMILES CCC(C)NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |r,c:20,t:16| Show InChI InChI=1S/C27H38FNO6/c1-6-16(3)29-23(34)35-27(22(33)14-30)15(2)11-20-19-8-7-17-12-18(31)9-10-24(17,4)26(19,28)21(32)13-25(20,27)5/h9-10,12,15-16,19-21,30,32H,6-8,11,13-14H2,1-5H3,(H,29,34)/t15-,16?,19-,20-,21-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					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))	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))	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))	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))	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 (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 (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)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272523 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1 |r,c:18,t:14| Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19-,23-,24-,25-,28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					More data for this Ligand-Target Pair
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
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))	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))	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))	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))	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272400 ((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...) Show SMILES CCCCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |r,c:21,t:17| Show InChI InChI=1S/C28H40FNO6/c1-5-6-7-12-30-24(35)36-28(23(34)16-31)17(2)13-21-20-9-8-18-14-19(32)10-11-25(18,3)27(20,29)22(33)15-26(21,28)4/h10-11,14,17,20-22,31,33H,5-9,12-13,15-16H2,1-4H3,(H,30,35)/t17-,20-,21-,22-,25-,26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272434 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC(C)(C)C)C(=O)CO |r,c:11,t:7| Show InChI InChI=1S/C27H38FNO6/c1-15-11-19-18-8-7-16-12-17(31)9-10-24(16,5)26(18,28)20(32)13-25(19,6)27(15,21(33)14-30)35-22(34)29-23(2,3)4/h9-10,12,15,18-20,30,32H,7-8,11,13-14H2,1-6H3,(H,29,34)/t15-,18-,19-,20-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272399 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES CCCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |r,c:20,t:16| Show InChI InChI=1S/C27H38FNO6/c1-5-6-11-29-23(34)35-27(22(33)15-30)16(2)12-20-19-8-7-17-13-18(31)9-10-24(17,3)26(19,28)21(32)14-25(20,27)4/h9-10,13,16,19-21,30,32H,5-8,11-12,14-15H2,1-4H3,(H,29,34)/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					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
1,3-beta-D-glucan synthase catalytic subunit (Candida albicans)	BDBM50499796 (CHEMBL3742110) Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(NC)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:34| Show InChI InChI=1S/C38H64N6O4/c1-22(2)24(5)33(6)16-17-35(8)25-12-13-28-34(7)19-47-21-38(28,26(25)14-15-36(35,9)29(33)31(45)46)18-27(44-42-32(39)41-43-44)30(34)48-20-37(10,40-11)23(3)4/h14,22-25,27-30,40H,12-13,15-21H2,1-11H3,(H2,39,42)(H,45,46)/t24-,25+,27-,28+,29-,30+,33-,34?,35-,36+,37+,38+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs				Bioorg Med Chem Lett 25: 5813-8 (2015) Article DOI: 10.1016/j.bmcl.2015.10.011 BindingDB Entry DOI: 10.7270/Q2DF6V64
					More data for this Ligand-Target Pair
1,3-beta-D-glucan synthase catalytic subunit (Candida albicans)	BDBM50499806 (CHEMBL3740011) Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:33| Show InChI InChI=1S/C37H62N6O4/c1-21(2)23(5)32(6)15-16-34(8)24-11-12-27-33(7)18-46-20-37(27,25(24)13-14-35(34,9)28(32)30(44)45)17-26(43-41-31(38)40-42-43)29(33)47-19-36(10,39)22(3)4/h13,21-24,26-29H,11-12,14-20,39H2,1-10H3,(H2,38,41)(H,44,45)/t23-,24+,26-,27+,28-,29+,32-,33?,34-,35+,36+,37+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.05	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs				Bioorg Med Chem Lett 25: 5813-8 (2015) Article DOI: 10.1016/j.bmcl.2015.10.011 BindingDB Entry DOI: 10.7270/Q2DF6V64
					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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272520 ((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCCC1)C(=O)CO |r,c:11,t:7| Show InChI InChI=1S/C29H40FNO6/c1-17-13-22-21-10-9-18-14-20(33)11-12-26(18,2)28(21,30)23(34)15-27(22,3)29(17,24(35)16-32)37-25(36)31-19-7-5-4-6-8-19/h11-12,14,17,19,21-23,32,34H,4-10,13,15-16H2,1-3H3,(H,31,36)/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272398 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES CCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |r,c:19,t:15| Show InChI InChI=1S/C26H36FNO6/c1-5-10-28-22(33)34-26(21(32)14-29)15(2)11-19-18-7-6-16-12-17(30)8-9-23(16,3)25(18,27)20(31)13-24(19,26)4/h8-9,12,15,18-20,29,31H,5-7,10-11,13-14H2,1-4H3,(H,28,33)/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272494 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCC1)C(=O)CO |r,c:11,t:7| Show InChI InChI=1S/C28H38FNO6/c1-16-12-21-20-9-8-17-13-19(32)10-11-25(17,2)27(20,29)22(33)14-26(21,3)28(16,23(34)15-31)36-24(35)30-18-6-4-5-7-18/h10-11,13,16,18,20-22,31,33H,4-9,12,14-15H2,1-3H3,(H,30,35)/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					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))	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))	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))	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))	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272397 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES CCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |r,c:18,t:14| Show InChI InChI=1S/C25H34FNO6/c1-5-27-21(32)33-25(20(31)13-28)14(2)10-18-17-7-6-15-11-16(29)8-9-22(15,3)24(17,26)19(30)12-23(18,25)4/h8-9,11,14,17-19,28,30H,5-7,10,12-13H2,1-4H3,(H,27,32)/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272522 ((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...) Show SMILES C[C@@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1 |r,c:18,t:14| Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19+,23-,24-,25-,28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272493 ((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC(C)(C)CC(C)(C)C)C(=O)CO |r,c:11,t:7| Show InChI InChI=1S/C31H46FNO6/c1-18-13-22-21-10-9-19-14-20(35)11-12-28(19,7)30(21,32)23(36)15-29(22,8)31(18,24(37)16-34)39-25(38)33-27(5,6)17-26(2,3)4/h11-12,14,18,21-23,34,36H,9-10,13,15-17H2,1-8H3,(H,33,38)/t18-,21-,22-,23-,28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50189082 ((S)(-)-6-bromo-9a-butyl-8,9,9a,10-tetrahydro-3H-1,...) Show SMILES CCCC[C@]12Cc3c(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)/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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50272521 (Adamantan-1-yl-carbamic acid (8S,9R,10S,11S,13S,14...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)CO |r,c:11,t:7,TLB:26:27:30.29.34:32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27,26:27:30:34.33.32| Show InChI InChI=1S/C33H44FNO6/c1-18-8-25-24-5-4-22-12-23(37)6-7-29(22,2)32(24,34)26(38)16-30(25,3)33(18,27(39)17-36)41-28(40)35-31-13-19-9-20(14-31)11-21(10-19)15-31/h6-7,12,18-21,24-26,36,38H,4-5,8-11,13-17H2,1-3H3,(H,35,40)/t18-,19?,20?,21?,24-,25-,26-,29-,30-,31?,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor				Bioorg Med Chem 16: 7535-42 (2008) Article DOI: 10.1016/j.bmc.2008.07.037 BindingDB Entry DOI: 10.7270/Q2CC10HX
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50187945 (CHEMBL379543 | rac-9a-butyl-6-cyclopropyl-8,9,9a,1...) Show SMILES CCCCC12Cc3c(ccc4[nH]ncc34)C1=C(C1CC1)C(=O)CC2 |t:18| Show InChI InChI=1S/C21H24N2O/c1-2-3-9-21-10-8-18(24)19(13-4-5-13)20(21)14-6-7-17-16(12-22-23-17)15(14)11-21/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50187958 ((S)-9a-ethyl-6-methyl-8,9,9a,10-tetrahydroindeno[2...) Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C)C(=O)CC2 |t:16| Show InChI InChI=1S/C17H18N2O/c1-3-17-7-6-15(20)10(2)16(17)11-4-5-14-13(9-18-19-14)12(11)8-17/h4-5,9H,3,6-8H2,1-2H3,(H,18,19)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	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
1,3-beta-D-glucan synthase catalytic subunit (Candida albicans)	BDBM50499797 (CHEMBL3742052) Show SMILES [H][C@]12CC[C@@]3([H])C4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(NCC)C(C)C)n3nnc(N)n3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C |r,c:35| Show InChI InChI=1S/C39H66N6O4/c1-12-41-38(11,24(4)5)21-49-31-28(45-43-33(40)42-44-45)19-39-22-48-20-35(31,8)29(39)14-13-26-27(39)15-16-37(10)30(32(46)47)34(7,25(6)23(2)3)17-18-36(26,37)9/h15,23-26,28-31,41H,12-14,16-22H2,1-11H3,(H2,40,43)(H,46,47)/t25-,26+,28-,29+,30-,31+,34-,35?,36-,37+,38+,39+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs				Bioorg Med Chem Lett 25: 5813-8 (2015) Article DOI: 10.1016/j.bmcl.2015.10.011 BindingDB Entry DOI: 10.7270/Q2DF6V64
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50189076 (9a-butyl-6-furan-2-yl-8,9,9a,10-tetrahydro-3H-1,2,...) Show SMILES CCCCC12Cc3c(ccc4nn[nH]c34)C1=C(c1ccco1)C(=O)CC2 |t:18| Show InChI InChI=1S/C21H21N3O2/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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human 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))	BDBM50187953 ((S)-6-cyclopropyl-9a-ethyl-8,9,9a,10-tetrahydroind...) Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C1CC1)C(=O)CC2 |t:16| Show InChI InChI=1S/C19H20N2O/c1-2-19-8-7-16(22)17(11-3-4-11)18(19)12-5-6-15-14(10-20-21-15)13(12)9-19/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,21)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human 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))	BDBM50187961 ((S)-6-chloro-9a-ethyl-8,9,9a,10-tetrahydroindeno[2...) Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Cl)C(=O)CC2 |t:16| Show InChI InChI=1S/C16H15ClN2O/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	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human 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

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