Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'rosati' and Initial = 'rl'   

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
Renin (Homo sapiens (Human))	BDBM50403370 (CHEMBL2052021 | CP-71362) Show SMILES CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C51H76N8O9/c1-33(2)25-37(45(61)55-39(23-15-16-24-52)46(62)58-43(49(65)66)28-36-21-13-8-14-22-36)29-44(60)40(26-34-17-9-6-10-18-34)56-48(64)42(30-38-31-53-32-54-38)57-47(63)41(27-35-19-11-7-12-20-35)59-50(67)68-51(3,4)5/h7-8,11-14,19-22,31-34,37,39-44,60H,6,9-10,15-18,23-30,52H2,1-5H3,(H,53,54)(H,55,61)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,65,66)/t37-,39+,40+,41+,42+,43+,44+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against dog plasma renin				Bioorg Med Chem Lett 4: 589-592 (1994) Article DOI: 10.1016/S0960-894X(01)80160-8 BindingDB Entry DOI: 10.7270/Q2KD1XVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.354	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50146201 (6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...) Show SMILES Oc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146201 (6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5...) Show SMILES Oc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Rattus norvegicus)	BDBM50403370 (CHEMBL2052021 | CP-71362) Show SMILES CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C51H76N8O9/c1-33(2)25-37(45(61)55-39(23-15-16-24-52)46(62)58-43(49(65)66)28-36-21-13-8-14-22-36)29-44(60)40(26-34-17-9-6-10-18-34)56-48(64)42(30-38-31-53-32-54-38)57-47(63)41(27-35-19-11-7-12-20-35)59-50(67)68-51(3,4)5/h7-8,11-14,19-22,31-34,37,39-44,60H,6,9-10,15-18,23-30,52H2,1-5H3,(H,53,54)(H,55,61)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,65,66)/t37-,39+,40+,41+,42+,43+,44+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Rat plasma renin				Bioorg Med Chem Lett 4: 589-592 (1994) Article DOI: 10.1016/S0960-894X(01)80160-8 BindingDB Entry DOI: 10.7270/Q2KD1XVS
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146206 (2-Benzyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1...) Show SMILES Oc1ccc2C(N(Cc3ccccc3)CCc2c1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N2O2/c31-25-10-13-27-24(20-25)14-17-30(21-22-6-2-1-3-7-22)28(27)23-8-11-26(12-9-23)32-19-18-29-15-4-5-16-29/h1-3,6-13,20,28,31H,4-5,14-19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146200 ((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H28N2O3/c31-25-11-12-26-23(20-25)14-15-30(28(26)22-4-2-1-3-5-22)24-9-6-21(7-10-24)8-13-27(32)29-16-18-33-19-17-29/h1-13,20,28,31H,14-19H2/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146223 (2-Benzenesulfonyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-...) Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O4S/c30-23-10-13-26-22(20-23)14-17-29(34(31,32)25-6-2-1-3-7-25)27(26)21-8-11-24(12-9-21)33-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2	PDB UniProtKB/SwissProt 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146216 (2-(Naphthalene-1-sulfonyl)-1-[4-(2-pyrrolidin-1-yl...) Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H32N2O4S/c34-26-12-15-29-25(22-26)16-19-33(38(35,36)30-9-5-7-23-6-1-2-8-28(23)30)31(29)24-10-13-27(14-11-24)37-21-20-32-17-3-4-18-32/h1-2,5-15,22,31,34H,3-4,16-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146200 ((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H28N2O3/c31-25-11-12-26-23(20-25)14-15-30(28(26)22-4-2-1-3-5-22)24-9-6-21(7-10-24)8-13-27(32)29-16-18-33-19-17-29/h1-13,20,28,31H,14-19H2/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146222 (1-Benzyl-2-phenyl-1,2,3,4-tetrahydro-isoquinolin-6...) Show SMILES Oc1ccc2C(Cc3ccccc3)N(CCc2c1)c1ccccc1 Show InChI InChI=1S/C22H21NO/c24-20-11-12-21-18(16-20)13-14-23(19-9-5-2-6-10-19)22(21)15-17-7-3-1-4-8-17/h1-12,16,22,24H,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146199 ((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...) Show SMILES CN(C)C(=O)\C=C\c1ccc(cc1)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C26H26N2O2/c1-27(2)25(30)15-10-19-8-11-22(12-9-19)28-17-16-21-18-23(29)13-14-24(21)26(28)20-6-4-3-5-7-20/h3-15,18,26,29H,16-17H2,1-2H3/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146199 ((E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoqui...) Show SMILES CN(C)C(=O)\C=C\c1ccc(cc1)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C26H26N2O2/c1-27(2)25(30)15-10-19-8-11-22(12-9-19)28-17-16-21-18-23(29)13-14-24(21)26(28)20-6-4-3-5-7-20/h3-15,18,26,29H,16-17H2,1-2H3/b15-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146220 (2,2,2-Trifluoro-1-[(R)-6-hydroxy-1-(4-hydroxy-phen...) Show SMILES Oc1ccc(cc1)[C@H]1N(CCc2cc(O)ccc12)C(=O)C(F)(F)F Show InChI InChI=1S/C17H14F3NO3/c18-17(19,20)16(24)21-8-7-11-9-13(23)5-6-14(11)15(21)10-1-3-12(22)4-2-10/h1-6,9,15,22-23H,7-8H2/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146205 (2-Benzo[1,3]dioxol-5-ylmethyl-1-[4-(2-pyrrolidin-1...) Show SMILES Oc1ccc2C(N(Cc3ccc4OCOc4c3)CCc2c1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C29H32N2O4/c32-24-6-9-26-23(18-24)11-14-31(19-21-3-10-27-28(17-21)35-20-34-27)29(26)22-4-7-25(8-5-22)33-16-15-30-12-1-2-13-30/h3-10,17-18,29,32H,1-2,11-16,19-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50471710 (CHEMBL317748) Show SMILES [H][C@@]1(CCc2cc(O)ccc2[C@]1([H])c1ccc(OCCN2CCCC2)cc1)c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146207 (4-(4-Hydroxy-phenyl)-2-(naphthalene-1-sulfonyl)-1,...) Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H21NO4S/c27-20-10-8-18(9-11-20)24-16-26(15-19-14-21(28)12-13-22(19)24)31(29,30)25-7-3-5-17-4-1-2-6-23(17)25/h1-14,24,27-28H,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146211 (2,2,2-Trifluoro-1-[7-hydroxy-4-(4-hydroxy-phenyl)-...) Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)C(=O)C(F)(F)F Show InChI InChI=1S/C17H14F3NO3/c18-17(19,20)16(24)21-8-11-7-13(23)5-6-14(11)15(9-21)10-1-3-12(22)4-2-10/h1-7,15,22-23H,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM20606 ((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...) Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50471711 (CHEMBL98892) Show SMILES Oc1ccc2C=C(C(Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 |c:5| Show InChI InChI=1S/C27H27NO3/c29-23-11-8-22-18-25(20-6-2-1-3-7-20)27(31-26(22)19-23)21-9-12-24(13-10-21)30-17-16-28-14-4-5-15-28/h1-3,6-13,18-19,27,29H,4-5,14-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM20606 ((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...) Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O2/c30-24-10-13-26-22(20-24)14-17-29(23-6-2-1-3-7-23)27(26)21-8-11-25(12-9-21)31-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146198 (2-Benzyl-4-(4-hydroxy-phenyl)-1,2,3,4-tetrahydro-i...) Show SMILES Oc1ccc(cc1)C1CN(Cc2ccccc2)Cc2cc(O)ccc12 Show InChI InChI=1S/C22H21NO2/c24-19-8-6-17(7-9-19)22-15-23(13-16-4-2-1-3-5-16)14-18-12-20(25)10-11-21(18)22/h1-12,22,24-25H,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146223 (2-Benzenesulfonyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-...) Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O4S/c30-23-10-13-26-22(20-23)14-17-29(34(31,32)25-6-2-1-3-7-25)27(26)21-8-11-24(12-9-21)33-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146198 (2-Benzyl-4-(4-hydroxy-phenyl)-1,2,3,4-tetrahydro-i...) Show SMILES Oc1ccc(cc1)C1CN(Cc2ccccc2)Cc2cc(O)ccc12 Show InChI InChI=1S/C22H21NO2/c24-19-8-6-17(7-9-19)22-15-23(13-16-4-2-1-3-5-16)14-18-12-20(25)10-11-21(18)22/h1-12,22,24-25H,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50403370 (CHEMBL2052021 | CP-71362) Show SMILES CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C51H76N8O9/c1-33(2)25-37(45(61)55-39(23-15-16-24-52)46(62)58-43(49(65)66)28-36-21-13-8-14-22-36)29-44(60)40(26-34-17-9-6-10-18-34)56-48(64)42(30-38-31-53-32-54-38)57-47(63)41(27-35-19-11-7-12-20-35)59-50(67)68-51(3,4)5/h7-8,11-14,19-22,31-34,37,39-44,60H,6,9-10,15-18,23-30,52H2,1-5H3,(H,53,54)(H,55,61)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,65,66)/t37-,39+,40+,41+,42+,43+,44+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against human plasma renin				Bioorg Med Chem Lett 4: 589-592 (1994) Article DOI: 10.1016/S0960-894X(01)80160-8 BindingDB Entry DOI: 10.7270/Q2KD1XVS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146216 (2-(Naphthalene-1-sulfonyl)-1-[4-(2-pyrrolidin-1-yl...) Show SMILES Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C31H32N2O4S/c34-26-12-15-29-25(22-26)16-19-33(38(35,36)30-9-5-7-23-6-1-2-8-28(23)30)31(29)24-10-13-27(14-11-24)37-21-20-32-17-3-4-18-32/h1-2,5-15,22,31,34H,3-4,16-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM20585 (2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H30N2O2/c30-24-10-13-26-22(20-24)14-17-29(23-6-2-1-3-7-23)27(26)21-8-11-25(12-9-21)31-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146204 (1-[1-(4-Bromo-phenyl)-6-hydroxy-3,4-dihydro-1H-iso...) Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrF3NO2/c18-12-3-1-10(2-4-12)15-14-6-5-13(23)9-11(14)7-8-22(15)16(24)17(19,20)21/h1-6,9,15,23H,7-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146208 (1-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-2-(toluene...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N2O4S/c1-21-4-11-26(12-5-21)35(32,33)30-17-14-23-20-24(31)8-13-27(23)28(30)22-6-9-25(10-7-22)34-19-18-29-15-2-3-16-29/h4-13,20,28,31H,2-3,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146221 (2-Phenyl-1-thiophen-2-yl-1,2,3,4-tetrahydro-isoqui...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C19H17NOS/c21-16-8-9-17-14(13-16)10-11-20(15-5-2-1-3-6-15)19(17)18-7-4-12-22-18/h1-9,12-13,19,21H,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146215 (2,2,2-Trifluoro-1-(6-hydroxy-1-phenyl-3,4-dihydro-...) Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H14F3NO2/c18-17(19,20)16(23)21-9-8-12-10-13(22)6-7-14(12)15(21)11-4-2-1-3-5-11/h1-7,10,15,22H,8-9H2	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146207 (4-(4-Hydroxy-phenyl)-2-(naphthalene-1-sulfonyl)-1,...) Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H21NO4S/c27-20-10-8-18(9-11-20)24-16-26(15-19-14-21(28)12-13-22(19)24)31(29,30)25-7-3-5-17-4-1-2-6-23(17)25/h1-14,24,27-28H,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146213 (CHEMBL93207 | [7-Hydroxy-4-(4-hydroxy-phenyl)-3,4-...) Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C22H19NO3/c24-18-8-6-15(7-9-18)21-14-23(22(26)16-4-2-1-3-5-16)13-17-12-19(25)10-11-20(17)21/h1-12,21,24-25H,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146202 (2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-...) Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C23H25F3N2O3/c24-23(25,26)22(30)28-12-9-17-15-18(29)5-8-20(17)21(28)16-3-6-19(7-4-16)31-14-13-27-10-1-2-11-27/h3-8,15,21,29H,1-2,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146226 (2-(4-Propyl-benzenesulfonyl)-1-[4-(2-pyrrolidin-1-...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C30H36N2O4S/c1-2-5-23-6-13-28(14-7-23)37(34,35)32-19-16-25-22-26(33)10-15-29(25)30(32)24-8-11-27(12-9-24)36-21-20-31-17-3-4-18-31/h6-15,22,30,33H,2-5,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146209 (1-Cyclohexyl-2-phenyl-1,2,3,4-tetrahydro-isoquinol...) Show SMILES Oc1ccc2C(C3CCCCC3)N(CCc2c1)c1ccccc1 Show InChI InChI=1S/C21H25NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h2,5-6,9-12,15-16,21,23H,1,3-4,7-8,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146224 (1,2-Diphenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol |...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H19NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-12,15,21,23H,13-14H2	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50065941 (1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-naphthalen...) Show SMILES COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6| Show InChI InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146206 (2-Benzyl-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1...) Show SMILES Oc1ccc2C(N(Cc3ccccc3)CCc2c1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C28H32N2O2/c31-25-10-13-27-24(20-25)14-17-30(21-22-6-2-1-3-7-22)28(27)23-8-11-26(12-9-23)32-19-18-29-15-4-5-16-29/h1-3,6-13,20,28,31H,4-5,14-19,21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146225 (2-Benzenesulfonyl-4-(4-hydroxy-phenyl)-1,2,3,4-tet...) Show SMILES Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H19NO4S/c23-17-8-6-15(7-9-17)21-14-22(13-16-12-18(24)10-11-20(16)21)27(25,26)19-4-2-1-3-5-19/h1-12,21,23-24H,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146212 (1-Isopropyl-2-phenyl-1,2,3,4-tetrahydro-isoquinoli...) Show SMILES CC(C)C1N(CCc2cc(O)ccc12)c1ccccc1 Show InChI InChI=1S/C18H21NO/c1-13(2)18-17-9-8-16(20)12-14(17)10-11-19(18)15-6-4-3-5-7-15/h3-9,12-13,18,20H,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146219 (6-Hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-...) Show SMILES CCOC(=O)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C24H30N2O4/c1-2-29-24(28)26-14-11-19-17-20(27)7-10-22(19)23(26)18-5-8-21(9-6-18)30-16-15-25-12-3-4-13-25/h5-10,17,23,27H,2-4,11-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50471707 (CHEMBL98116) Show SMILES Oc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:5| Show InChI InChI=1S/C28H29NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,30H,4-5,10,14,16-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of estradiol binding to estrogen receptor				J Med Chem 41: 2928-31 (1998) Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146224 (1,2-Diphenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol |...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H19NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-12,15,21,23H,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146221 (2-Phenyl-1-thiophen-2-yl-1,2,3,4-tetrahydro-isoqui...) Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1cccs1 Show InChI InChI=1S/C19H17NOS/c21-16-8-9-17-14(13-16)10-11-20(15-5-2-1-3-6-15)19(17)18-7-4-12-22-18/h1-9,12-13,19,21H,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146218 (1-Cyclohexylmethyl-2-phenyl-1,2,3,4-tetrahydro-iso...) Show SMILES Oc1ccc2C(CC3CCCCC3)N(CCc2c1)c1ccccc1 Show InChI InChI=1S/C22H27NO/c24-20-11-12-21-18(16-20)13-14-23(19-9-5-2-6-10-19)22(21)15-17-7-3-1-4-8-17/h2,5-6,9-12,16-17,22,24H,1,3-4,7-8,13-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50146220 (2,2,2-Trifluoro-1-[(R)-6-hydroxy-1-(4-hydroxy-phen...) Show SMILES Oc1ccc(cc1)[C@H]1N(CCc2cc(O)ccc12)C(=O)C(F)(F)F Show InChI InChI=1S/C17H14F3NO3/c18-17(19,20)16(24)21-8-7-11-9-13(23)5-6-14(11)15(21)10-1-3-12(22)4-2-10/h1-6,9,15,22-23H,7-8H2/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor alpha expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM50146214 (2,2,2-Trifluoro-1-(6-hydroxy-1-thiophen-2-yl-3,4-d...) Show SMILES Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1cccs1 Show InChI InChI=1S/C15H12F3NO2S/c16-15(17,18)14(21)19-6-5-9-8-10(20)3-4-11(9)13(19)12-2-1-7-22-12/h1-4,7-8,13,20H,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro concentration required to inhibit [3H]-estradiol binding to human estrogen receptor beta expressed in 293T cells				Bioorg Med Chem Lett 14: 2729-33 (2004) Article DOI: 10.1016/j.bmcl.2004.03.077 BindingDB Entry DOI: 10.7270/Q2J67GBK
					More data for this Ligand-Target Pair

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