Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50014913   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50149060 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(3-piperidin-1-yl-p...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1CCCN1CCCCC1 Show InChI InChI=1S/C22H27NO3S/c24-17-8-6-16(7-9-17)22-20(5-4-14-23-12-2-1-3-13-23)26-19-11-10-18(25)15-21(19)27-22/h6-11,15,20,22,24-25H,1-5,12-14H2/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144849 ((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50149062 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(4-methyl-pipera...) Show SMILES CN1CCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C25H26N2O3S/c1-26-12-14-27(15-13-26)19-6-2-17(3-7-19)24-25(18-4-8-20(28)9-5-18)31-23-16-21(29)10-11-22(23)30-24/h2-11,16,24-25,28-29H,12-15H2,1H3/t24-,25+/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 for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149066 ((2S,3R)-2-[4-(4-Ethyl-piperazin-1-yl)-phenyl]-3-(4...) Show SMILES CCN1CCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C26H28N2O3S/c1-2-27-13-15-28(16-14-27)20-7-3-18(4-8-20)25-26(19-5-9-21(29)10-6-19)32-24-17-22(30)11-12-23(24)31-25/h3-12,17,25-26,29-30H,2,13-16H2,1H3/t25-,26+/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 for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					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 for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					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 for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50149058 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(1,2,3,6-tetrahy...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)C1=CCNCC1 |t:28| Show InChI InChI=1S/C25H23NO3S/c27-20-7-5-19(6-8-20)25-24(29-22-10-9-21(28)15-23(22)30-25)18-3-1-16(2-4-18)17-11-13-26-14-12-17/h1-11,15,24-28H,12-14H2/t24-,25+/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 for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149065 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(3-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(CCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO3S/c30-23-12-10-22(11-13-23)28-27(32-25-15-14-24(31)19-26(25)33-28)21-8-6-20(7-9-21)5-4-18-29-16-2-1-3-17-29/h6-15,19,27-28,30-31H,1-5,16-18H2/t27-,28+/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 for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149059 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-piperidin-4-yl-p...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C25H25NO3S/c27-20-7-5-19(6-8-20)25-24(29-22-10-9-21(28)15-23(22)30-25)18-3-1-16(2-4-18)17-11-13-26-14-12-17/h1-10,15,17,24-28H,11-14H2/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149064 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(COCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c30-23-10-8-22(9-11-23)28-27(33-25-13-12-24(31)18-26(25)34-28)21-6-4-20(5-7-21)19-32-17-16-29-14-2-1-3-15-29/h4-13,18,27-28,30-31H,1-3,14-17,19H2/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149067 ((2S,3R)-2-(4-[1,4]Diazepan-1-yl-phenyl)-3-(4-hydro...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)N1CCCNCC1 Show InChI InChI=1S/C25H26N2O3S/c28-20-8-4-18(5-9-20)25-24(30-22-11-10-21(29)16-23(22)31-25)17-2-6-19(7-3-17)27-14-1-12-26-13-15-27/h2-11,16,24-26,28-29H,1,12-15H2/t24-,25+/m0/s1	PDB UniProtKB/SwissProt 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 Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149068 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(4-methyl-[1,4]d...) Show SMILES CN1CCCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C26H28N2O3S/c1-27-13-2-14-28(16-15-27)20-7-3-18(4-8-20)25-26(19-5-9-21(29)10-6-19)32-24-17-22(30)11-12-23(24)31-25/h3-12,17,25-26,29-30H,2,13-16H2,1H3/t25-,26+/m0/s1	PDB UniProtKB/SwissProt 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 Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149061 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-piperazin-1-yl-p...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N2O3S/c27-19-7-3-17(4-8-19)24-23(29-21-10-9-20(28)15-22(21)30-24)16-1-5-18(6-2-16)26-13-11-25-12-14-26/h1-10,15,23-25,27-28H,11-14H2/t23-,24+/m0/s1	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 for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149060 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(3-piperidin-1-yl-p...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1CCCN1CCCCC1 Show InChI InChI=1S/C22H27NO3S/c24-17-8-6-16(7-9-17)22-20(5-4-14-23-12-2-1-3-13-23)26-19-11-10-18(25)15-21(19)27-22/h6-11,15,20,22,24-25H,1-5,12-14H2/t20-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149066 ((2S,3R)-2-[4-(4-Ethyl-piperazin-1-yl)-phenyl]-3-(4...) Show SMILES CCN1CCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C26H28N2O3S/c1-2-27-13-15-28(16-14-27)20-7-3-18(4-8-20)25-26(19-5-9-21(29)10-6-19)32-24-17-22(30)11-12-23(24)31-25/h3-12,17,25-26,29-30H,2,13-16H2,1H3/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149058 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(1,2,3,6-tetrahy...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)C1=CCNCC1 |t:28| Show InChI InChI=1S/C25H23NO3S/c27-20-7-5-19(6-8-20)25-24(29-22-10-9-21(28)15-23(22)30-25)18-3-1-16(2-4-18)17-11-13-26-14-12-17/h1-11,15,24-28H,12-14H2/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50144849 ((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents 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 for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149062 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(4-methyl-pipera...) Show SMILES CN1CCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C25H26N2O3S/c1-26-12-14-27(15-13-26)19-6-2-17(3-7-19)24-25(18-4-8-20(28)9-5-18)31-23-16-21(29)10-11-22(23)30-24/h2-11,16,24-25,28-29H,12-15H2,1H3/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149059 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-piperidin-4-yl-p...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C25H25NO3S/c27-20-7-5-19(6-8-20)25-24(29-22-10-9-21(28)15-23(22)30-25)18-3-1-16(2-4-18)17-11-13-26-14-12-17/h1-10,15,17,24-28H,11-14H2/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149063 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-piperidin-1-ylme...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C26H27NO3S/c28-21-10-8-20(9-11-21)26-25(30-23-13-12-22(29)16-24(23)31-26)19-6-4-18(5-7-19)17-27-14-2-1-3-15-27/h4-13,16,25-26,28-29H,1-3,14-15,17H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149067 ((2S,3R)-2-(4-[1,4]Diazepan-1-yl-phenyl)-3-(4-hydro...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)N1CCCNCC1 Show InChI InChI=1S/C25H26N2O3S/c28-20-8-4-18(5-9-20)25-24(30-22-11-10-21(29)16-23(22)31-25)17-2-6-19(7-3-17)27-14-1-12-26-13-15-27/h2-11,16,24-26,28-29H,1,12-15H2/t24-,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149061 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-piperazin-1-yl-p...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C24H24N2O3S/c27-19-7-3-17(4-8-19)24-23(29-21-10-9-20(28)15-22(21)30-24)16-1-5-18(6-2-16)26-13-11-25-12-14-26/h1-10,15,23-25,27-28H,11-14H2/t23-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149065 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(3-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(CCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO3S/c30-23-12-10-22(11-13-23)28-27(32-25-15-14-24(31)19-26(25)33-28)21-8-6-20(7-9-21)5-4-18-29-16-2-1-3-17-29/h6-15,19,27-28,30-31H,1-5,16-18H2/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149064 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(2-piperidin-1-y...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(COCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO4S/c30-23-10-8-22(9-11-23)28-27(33-25-13-12-24(31)18-26(25)34-28)21-6-4-20(5-7-21)19-32-17-16-29-14-2-1-3-15-29/h4-13,18,27-28,30-31H,1-3,14-17,19H2/t27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149068 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-[4-(4-methyl-[1,4]d...) Show SMILES CN1CCCN(CC1)c1ccc(cc1)[C@@H]1Oc2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 Show InChI InChI=1S/C26H28N2O3S/c1-27-13-2-14-28(16-15-27)20-7-3-18(4-8-20)25-26(19-5-9-21(29)10-6-19)32-24-17-22(30)11-12-23(24)31-25/h3-12,17,25-26,29-30H,2,13-16H2,1H3/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50149063 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-(4-piperidin-1-ylme...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C26H27NO3S/c28-21-10-8-20(9-11-21)26-25(30-23-13-12-22(29)16-24(23)31-26)19-6-4-18(5-7-19)17-27-14-2-1-3-15-27/h4-13,16,25-26,28-29H,1-3,14-15,17H2/t25-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor beta				Bioorg Med Chem Lett 14: 3747-51 (2004) Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69
					More data for this Ligand-Target Pair