Compile Data Set for Download or QSAR

Found 21 hits of ic50 for UniProtKB: P06211   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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 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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50214281 (Hexestrol | MESO-HEXESTROL) Show SMILES CC[C@@H]([C@@H](CC)c1ccc(O)cc1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for rat estrogen receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q27083M4
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50054811 (CHEMBL106773 | {4-[(Z)-1-(4-Hydroxy-phenyl)-2-phen...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O4/c1-2-22(17-6-4-3-5-7-17)24(18-8-12-20(25)13-9-18)19-10-14-21(15-11-19)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					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 (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 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)	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 (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 (RAT-Rattus norvegicus)	BDBM50471709 (CHEMBL421389) Show SMILES COc1ccc2C(C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C29H33NO2/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/h2-4,7-10,12-14,16,21,27,29H,5-6,11,15,17-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	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)	BDBM50471708 (CHEMBL100303) Show SMILES Oc1ccc2[C@@H]([C@@H](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/t26-,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	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)	BDBM50470950 (CHEMBL358975) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(CC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O3/c1-2-22(18-6-4-3-5-7-18)24(20-12-14-21(25)15-13-20)19-10-8-17(9-11-19)16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470953 (CHEMBL145356) Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)cc1 Show InChI InChI=1S/C24H22O5/c1-2-22(16-7-13-21(14-8-16)29-15-23(27)28)24(17-3-9-19(25)10-4-17)18-5-11-20(26)12-6-18/h3-14,25-26H,2,15H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470952 (CHEMBL144195) Show SMILES OC(=O)COc1ccc(cc1)C(Cc1ccccc1)c1ccc(O)cc1 Show InChI InChI=1S/C22H20O4/c23-19-10-6-17(7-11-19)21(14-16-4-2-1-3-5-16)18-8-12-20(13-9-18)26-15-22(24)25/h1-13,21,23H,14-15H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470949 (CHEMBL342340) Show SMILES CC\C(=C(/c1ccc(C)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C25H24O3/c1-3-23(19-7-5-4-6-8-19)25(20-11-9-18(2)10-12-20)21-13-15-22(16-14-21)28-17-24(26)27/h4-16H,3,17H2,1-2H3,(H,26,27)/b25-23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50470951 (CHEMBL144704) Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCC(O)=O)cc1)c1ccccc1 Show InChI InChI=1S/C24H22O3/c1-2-22(18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)20-13-15-21(16-14-20)27-17-23(25)26/h3-16H,2,17H2,1H3,(H,25,26)/b24-22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia Curated by ChEMBL					Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol				J Med Chem 39: 4853-9 (1996) Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50214283 (CHEMBL266377) Show SMILES CC[C@H]([C@H](CCCCn1cc(C(O)=O)c(=O)[nH]1)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H28N2O5/c1-2-20(16-6-10-18(27)11-7-16)21(17-8-12-19(28)13-9-17)5-3-4-14-26-15-22(24(30)31)23(29)25-26/h6-13,15,20-21,27-28H,2-5,14H2,1H3,(H,25,29)(H,30,31)/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for rat estrogen receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q27083M4
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50214194 (CHEMBL267891) Show SMILES C1CCC(CC1)NC1CCCCC1.CC[C@H]([C@H](CCCCn1cc(cn1)C(O)=O)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C24H28N2O4/c1-2-22(17-6-10-20(27)11-7-17)23(18-8-12-21(28)13-9-18)5-3-4-14-26-16-19(15-25-26)24(29)30/h6-13,15-16,22-23,27-28H,2-5,14H2,1H3,(H,29,30)/t22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for rat estrogen receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q27083M4
					More data for this Ligand-Target Pair
Estrogen receptor beta (RAT-Rattus norvegicus)	BDBM50214170 (CHEMBL9428) Show SMILES CC[C@H]([C@H](Cn1cc(C(O)=O)c(=O)[nH]1)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C21H22N2O5/c1-2-17(13-3-7-15(24)8-4-13)18(14-5-9-16(25)10-6-14)11-23-12-19(21(27)28)20(26)22-23/h3-10,12,17-18,24-25H,2,11H2,1H3,(H,22,26)(H,27,28)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity for rat estrogen receptor				Citation and Details BindingDB Entry DOI: 10.7270/Q27083M4
					More data for this Ligand-Target Pair