Compile Data Set for Download or QSAR

Found 50 hits of kd for UniProtKB: P03372   

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 (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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Binding affinity for human estrogen receptor alpha				J Med Chem 46: 4032-42 (2003) Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS
					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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Binding affinity to human full length estrogen receptor alpha by Scatchard plot analysis				J Med Chem 56: 3346-66 (2013) Article DOI: 10.1021/jm400157e BindingDB Entry DOI: 10.7270/Q2MK6F7V
					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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Binding affinity to human full-length ERalpha receptor				Eur J Med Chem 46: 2453-62 (2011) Article DOI: 10.1016/j.ejmech.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZC8362
					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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Binding affinity to human full length ERalpha receptor				Eur J Med Chem 44: 3412-24 (2009) Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37
					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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human ERalpha				J Med Chem 49: 5001-12 (2006) Article DOI: 10.1021/jm060560u BindingDB Entry DOI: 10.7270/Q2ZG6RVQ
					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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
Institute of Radiological and Medical Sciences Curated by ChEMBL					Assay Description Binding affinity to full-length human estrogen receptor alpha				Bioorg Med Chem 17: 3479-88 (2009) Article DOI: 10.1016/j.bmc.2009.02.064 BindingDB Entry DOI: 10.7270/Q2T43T0H
					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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity to full-length human estrogen receptor alpha				Bioorg Med Chem 17: 3528-35 (2009) Article DOI: 10.1016/j.bmc.2009.04.016 BindingDB Entry DOI: 10.7270/Q22R3RP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM435383 (US10570077, Compound E2) Show SMILES CC12CC[C@H]3C(CCc4cc(O)ccc34)[C@@H]1CCC2O |r| 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 PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					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	n/a	3.5	n/a	n/a	n/a	n/a	n/a
Wuhan University Curated by ChEMBL					Assay Description Binding affinity to purified human ERalpha LBD assessed as dissociation constant incubated for 2 hrs by fluorescence tracer based competitive fluorom...				Eur J Med Chem 172: 48-61 (2019) Article DOI: 10.1016/j.ejmech.2019.03.058 BindingDB Entry DOI: 10.7270/Q2RJ4NSN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50192460 (4-(4-hydroxyphenyl)-N-methyl-3-phenylanthranylaldo...) Show SMILES CNc1c(CN=O)ccc(-c2ccc(O)cc2)c1-c1ccccc1 Show InChI InChI=1S/C20H18N2O2/c1-21-20-16(13-22-24)9-12-18(14-7-10-17(23)11-8-14)19(20)15-5-3-2-4-6-15/h2-12,21,23H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human ERalpha				J Med Chem 49: 5001-12 (2006) Article DOI: 10.1021/jm060560u BindingDB Entry DOI: 10.7270/Q2ZG6RVQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50238741 (CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H] Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a
the University of Tokyo Curated by ChEMBL					Assay Description Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...				Bioorg Med Chem 27: 1952-1961 (2019) Article DOI: 10.1016/j.bmc.2019.03.042 BindingDB Entry DOI: 10.7270/Q24171GJ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50112407 (5-(3-{4-[1-ethyl-2-(4-hydroxyphenyl)-(E)-1-butenyl...) Show SMILES CC\C(=C(\CC)c1ccc(OCCCC(=O)NCc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)c1ccc(O)cc1 |(2.39,-7.45,;2.41,-8.99,;3.74,-9.75,;5.07,-8.97,;6.42,-9.73,;6.42,-11.27,;5.06,-7.43,;3.72,-6.67,;3.72,-5.13,;5.04,-4.35,;5.02,-2.81,;6.35,-2.04,;7.7,-2.8,;9.03,-2.01,;10.37,-2.78,;10.37,-4.32,;11.7,-2.01,;13.03,-2.76,;13.04,-4.3,;11.71,-5.09,;11.72,-6.63,;13.05,-7.37,;14.38,-6.61,;14.38,-5.07,;15.94,-7.19,;16.99,-6.02,;16.82,-8.17,;13.07,-8.91,;11.74,-9.69,;10.41,-8.92,;9.08,-9.69,;9.08,-11.23,;7.73,-12,;10.41,-12,;11.74,-11.23,;13.07,-12,;14.4,-11.22,;15.75,-11.98,;17.09,-11.21,;18.18,-12.3,;17.06,-9.64,;15.73,-8.9,;14.4,-9.67,;6.38,-5.11,;6.4,-6.63,;3.76,-11.29,;5.09,-12.04,;5.12,-13.58,;3.79,-14.36,;3.8,-15.9,;2.43,-13.6,;2.43,-12.06,)| Show InChI InChI=1S/C43H39NO8/c1-3-33(27-8-12-29(45)13-9-27)34(4-2)28-10-16-32(17-11-28)51-21-5-6-41(48)44-25-26-7-18-35(38(22-26)43(49)50)42-36-19-14-30(46)23-39(36)52-40-24-31(47)15-20-37(40)42/h7-20,22-24,45-46H,3-6,21,25H2,1-2H3,(H,44,48)(H,49,50)/b34-33+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding constant for Estrogen receptor alpha				Bioorg Med Chem Lett 12: 1283-5 (2002) BindingDB Entry DOI: 10.7270/Q2PG1R21
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462992 (CHEMBL4251127) Show SMILES CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:13| Show InChI InChI=1S/C82H146N34O19/c1-44(2)37-55(68(128)109-54(27-28-60(84)119)67(127)111-58(40-61(120)121)71(131)112-59(42-117)62(85)122)113-74(134)82(7)30-14-11-9-8-10-13-29-81(6,75(135)114-56(38-45(3)4)69(129)110-57(39-47-41-96-43-102-47)70(130)108-53(73(133)116-82)26-20-36-101-80(94)95)115-72(132)52(21-12-15-31-83)107-66(126)51(25-19-35-100-79(92)93)106-65(125)50(24-18-34-99-78(90)91)105-64(124)49(23-17-33-98-77(88)89)104-63(123)48(103-46(5)118)22-16-32-97-76(86)87/h8-9,41,43-45,48-59,117H,10-40,42,83H2,1-7H3,(H2,84,119)(H2,85,122)(H,96,102)(H,103,118)(H,104,123)(H,105,124)(H,106,125)(H,107,126)(H,108,130)(H,109,128)(H,110,129)(H,111,127)(H,112,131)(H,113,134)(H,114,135)(H,115,132)(H,116,133)(H,120,121)(H4,86,87,97)(H4,88,89,98)(H4,90,91,99)(H4,92,93,100)(H4,94,95,101)/b9-8-/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,81-,82-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged ERalpha LBD (unknown origin) (299 to 554 residues) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462989 (CHEMBL4251065) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CNC(=O)[C@H](CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C83H142N24O19/c1-14-46(11)66(68(86)113)106-77(122)59(37-49-24-26-50(108)27-25-49)102-79(124)62-38-51(109)41-107(62)81(126)48(13)95-73(118)55(33-42(3)4)96-64(111)23-17-16-18-30-91-70(115)54(28-29-63(85)110)98-74(119)56(34-43(5)6)101-75(120)57(35-44(7)8)100-72(117)53(22-20-32-93-83(89)90)97-78(123)61-40-94-71(116)60(99-69(114)52(84)21-19-31-92-82(87)88)39-65(112)105-67(47(12)15-2)80(125)103-58(36-45(9)10)76(121)104-61/h24-27,42-48,51-62,66-67,108-109H,14-23,28-41,84H2,1-13H3,(H2,85,110)(H2,86,113)(H,91,115)(H,94,116)(H,95,118)(H,96,111)(H,97,123)(H,98,119)(H,99,114)(H,100,117)(H,101,120)(H,102,124)(H,103,125)(H,104,121)(H,105,112)(H,106,122)(H4,87,88,92)(H4,89,90,93)/t46-,47-,48-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) using FITC-labelled compound after 1 ...				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM435391 (US10570077, Compound 2) Show SMILES CC1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r,t:1| Show InChI InChI=1S/C19H24O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h3,5,7,11,16-18,20H,4,6,8-10H2,1-2H3/t16-,17-,18+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494962 (CHEMBL3099432) Show SMILES [H][C@@]12CC=C(CO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C19H24O2/c1-19-9-8-16-15-6-4-14(21)10-12(15)2-5-17(16)18(19)7-3-13(19)11-20/h3-4,6,10,16-18,20-21H,2,5,7-9,11H2,1H3/t16-,17-,18+,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50242219 (CHEMBL4067602) Show SMILES CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)C(CC(C)(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C75H110N20O17S/c1-12-37(2)58-67(109)93-51(35-74(9,10)11)65(107)94-52(66(108)89-47(16-14-27-83-70(80)81)62(104)91-50(34-73(6,7)8)64(106)92-49(33-72(3,4)5)63(105)88-45(59(77)101)23-24-55(76)98)36-85-60(102)48(32-57(100)95-58)90-61(103)46(15-13-26-82-69(78)79)87-56(99)25-28-84-71(113)86-38-17-20-42-41(29-38)68(110)112-75(42)43-21-18-39(96)30-53(43)111-54-31-40(97)19-22-44(54)75/h17-22,29-31,37,45-52,58,96-97H,12-16,23-28,32-36H2,1-11H3,(H2,76,98)(H2,77,101)(H,85,102)(H,87,99)(H,88,105)(H,89,108)(H,90,103)(H,91,104)(H,92,106)(H,93,109)(H,94,107)(H,95,100)(H4,78,79,82)(H4,80,81,83)(H2,84,86,113)/t37-,45-,46-,47-,48-,49?,50?,51?,52?,58-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
Shenzhen Graduate School of Peking University Curated by ChEMBL					Assay Description Binding affinity to recombinant human GFP-fused ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 40 mins in presence o...				J Med Chem 60: 8731-8740 (2017) Article DOI: 10.1021/acs.jmedchem.7b00732 BindingDB Entry DOI: 10.7270/Q2BP056C
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462975 (CHEMBL4240793) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:63| Show InChI InChI=1S/C76H131N21O19/c1-12-45(8)60(95-65(108)49(25-18-22-32-78)87-67(110)55(37-47-39-82-41-84-47)90-62(105)48(24-17-21-31-77)86-64(107)51(85-46(9)99)27-28-58(100)101)71(114)91-54(36-44(6)7)70(113)97-75(10)29-19-15-13-14-16-20-30-76(11,73(116)94-56(38-59(102)103)68(111)92-57(40-98)61(79)104)96-69(112)53(35-43(4)5)89-66(109)52(34-42(2)3)88-63(106)50(93-72(75)115)26-23-33-83-74(80)81/h13-14,39,41-45,48-57,60,98H,12,15-38,40,77-78H2,1-11H3,(H2,79,104)(H,82,84)(H,85,99)(H,86,107)(H,87,110)(H,88,106)(H,89,109)(H,90,105)(H,91,114)(H,92,111)(H,93,115)(H,94,116)(H,95,108)(H,96,112)(H,97,113)(H,100,101)(H,102,103)(H4,80,81,83)/b14-13-/t45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,75-,76-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462983 (CHEMBL4240492) Show SMILES CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C48H88N18O11/c1-9-26(8)37-46(77)64-32(20-25(6)7)44(75)65-34(22-58-40(71)33(21-36(68)66-37)61-39(70)27(49)12-10-16-56-47(52)53)45(76)60-29(13-11-17-57-48(54)55)41(72)62-31(19-24(4)5)43(74)63-30(18-23(2)3)42(73)59-28(38(51)69)14-15-35(50)67/h23-34,37H,9-22,49H2,1-8H3,(H2,50,67)(H2,51,69)(H,58,71)(H,59,73)(H,60,76)(H,61,70)(H,62,72)(H,63,74)(H,64,77)(H,65,75)(H,66,68)(H4,52,53,56)(H4,54,55,57)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) using FITC-labelled compound after 1 ...				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50242218 (CHEMBL4086339) Show SMILES CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCC(=O)NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C72H104N20O17S/c1-9-37(8)58-67(106)89-50(28-36(6)7)65(104)90-52(66(105)85-47(13-11-24-81-70(77)78)62(101)86-49(27-35(4)5)64(103)87-48(26-34(2)3)63(102)84-45(59(74)98)20-21-55(73)95)33-82-60(99)51(32-57(97)91-58)88-61(100)46(12-10-23-80-69(75)76)79-25-22-56(96)92-71(110)83-38-14-17-42-41(29-38)68(107)109-72(42)43-18-15-39(93)30-53(43)108-54-31-40(94)16-19-44(54)72/h14-19,29-31,34-37,45-52,58,79,93-94H,9-13,20-28,32-33H2,1-8H3,(H2,73,95)(H2,74,98)(H,82,99)(H,84,102)(H,85,105)(H,86,101)(H,87,103)(H,88,100)(H,89,106)(H,90,104)(H,91,97)(H4,75,76,80)(H4,77,78,81)(H2,83,92,96,110)/t37-,45-,46-,47-,48-,49-,50-,51-,52?,58-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a
Shenzhen Graduate School of Peking University Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)				J Med Chem 60: 8731-8740 (2017) Article DOI: 10.1021/acs.jmedchem.7b00732 BindingDB Entry DOI: 10.7270/Q2BP056C
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462986 (CHEMBL4244651) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C71H120N22O16/c1-12-39(8)57(93-60(100)41(10)83-61(101)48(22-17-29-79-70(75)76)86-63(103)47(21-15-16-28-72)87-68(108)54(84-42(11)94)34-43-35-81-45-20-14-13-19-44(43)45)69(109)92-53(33-38(6)7)66(106)88-49(23-18-30-80-71(77)78)62(102)82-40(9)59(99)90-51(31-36(2)3)67(107)91-52(32-37(4)5)65(105)89-50(24-26-55(73)95)64(104)85-46(58(74)98)25-27-56(96)97/h13-14,19-20,35-41,46-54,57,81H,12,15-18,21-34,72H2,1-11H3,(H2,73,95)(H2,74,98)(H,82,102)(H,83,101)(H,84,94)(H,85,104)(H,86,103)(H,87,108)(H,88,106)(H,89,105)(H,90,99)(H,91,107)(H,92,109)(H,93,100)(H,96,97)(H4,75,76,79)(H4,77,78,80)/t39-,40-,41-,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) using FAM-labelled compound after 1 h...				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462979 (CHEMBL4244282) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CS\C=C\CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |r,t:11| Show InChI InChI=1S/C73H122N22O15S/c1-9-42(8)59-71(110)93-55(35-41(6)7)68(107)89-50(23-17-30-82-72(78)79)63(102)87-49(64(103)91-54(34-40(4)5)69(108)92-53(33-39(2)3)67(106)90-52(25-27-57(76)96)66(105)85-47(60(77)99)26-28-58(97)98)21-11-10-16-32-111-38-56(70(109)95-59)94-65(104)51(24-18-31-83-73(80)81)88-62(101)48(22-14-15-29-74)86-61(100)45(75)36-43-37-84-46-20-13-12-19-44(43)46/h12-13,16,19-20,32,37,39-42,45,47-56,59,84H,9-11,14-15,17-18,21-31,33-36,38,74-75H2,1-8H3,(H2,76,96)(H2,77,99)(H,85,105)(H,86,100)(H,87,102)(H,88,101)(H,89,107)(H,90,106)(H,91,103)(H,92,108)(H,93,110)(H,94,104)(H,95,109)(H,97,98)(H4,78,79,82)(H4,80,81,83)/b32-16+/t42-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) using FAM-labelled compound after 1 h...				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50242220 (CHEMBL4066573) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C77H109N21O16S/c1-9-42(8)64(73(111)97-57(29-41(6)7)70(108)96-59(32-45-36-84-38-88-45)72(110)93-54(14-12-25-85-75(81)82)66(104)94-56(28-40(4)5)69(107)95-55(27-39(2)3)68(106)91-52(65(80)103)21-22-62(79)101)98-67(105)53(13-10-11-24-78)92-71(109)58(31-44-35-83-37-87-44)90-63(102)23-26-86-76(115)89-43-15-18-49-48(30-43)74(112)114-77(49)50-19-16-46(99)33-60(50)113-61-34-47(100)17-20-51(61)77/h15-20,30,33-42,52-59,64,99-100H,9-14,21-29,31-32,78H2,1-8H3,(H2,79,101)(H2,80,103)(H,83,87)(H,84,88)(H,90,102)(H,91,106)(H,92,109)(H,93,110)(H,94,104)(H,95,107)(H,96,108)(H,97,111)(H,98,105)(H4,81,82,85)(H2,86,89,115)/t42-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a
Shenzhen Graduate School of Peking University Curated by ChEMBL					Assay Description Binding affinity to recombinant human GFP-fused ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 40 mins in presence o...				J Med Chem 60: 8731-8740 (2017) Article DOI: 10.1021/acs.jmedchem.7b00732 BindingDB Entry DOI: 10.7270/Q2BP056C
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494963 (CHEMBL3099431 | US10570077, Compound 13) Show SMILES [H][C@@]12CCC3(OC(C)C[C@@H]3C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C23H32O2/c1-14-12-15(2)25-23(14)11-9-21-20-6-4-16-13-17(24)5-7-18(16)19(20)8-10-22(21,23)3/h5,7,13-15,19-21,24H,4,6,8-12H2,1-3H3/t14-,15?,19+,20+,21-,22-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494960 (CHEMBL3099430 | US10570077, Compound 7) Show SMILES [H][C@@]12CC=C([C@@H](C)CC)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O/c1-4-14(2)20-9-10-21-19-7-5-15-13-16(23)6-8-17(15)18(19)11-12-22(20,21)3/h6,8-9,13-14,18-19,21,23H,4-5,7,10-12H2,1-3H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494963 (CHEMBL3099431 | US10570077, Compound 13) Show SMILES [H][C@@]12CCC3(OC(C)C[C@@H]3C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C23H32O2/c1-14-12-15(2)25-23(14)11-9-21-20-6-4-16-13-17(24)5-7-18(16)19(20)8-10-22(21,23)3/h5,7,13-15,19-21,24H,4,6,8-12H2,1-3H3/t14-,15?,19+,20+,21-,22-,23?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494960 (CHEMBL3099430 | US10570077, Compound 7) Show SMILES [H][C@@]12CC=C([C@@H](C)CC)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O/c1-4-14(2)20-9-10-21-19-7-5-15-13-16(23)6-8-17(15)18(19)11-12-22(20,21)3/h6,8-9,13-14,18-19,21,23H,4-5,7,10-12H2,1-3H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50228835 (CHEMBL4087385) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C89H128N24O20/c1-9-48(8)73(113-72(118)44-104-76(121)60(106-75(120)58(90)18-14-32-99-86(92)93)20-12-13-31-98-74(119)49-23-26-55-54(38-49)85(131)133-89(55)56-27-24-51(114)40-68(56)132-69-41-52(115)25-28-57(69)89)83(128)112-66(37-47(6)7)81(126)108-61(21-15-33-100-87(94)95)78(123)107-62(22-16-34-101-88(96)97)79(124)110-65(36-46(4)5)82(127)111-64(35-45(2)3)80(125)109-63(29-30-70(91)116)77(122)103-43-71(117)105-67(84(129)130)39-50-42-102-59-19-11-10-17-53(50)59/h10-11,17,19,23-28,38,40-42,45-48,58,60-67,73,102,114-115H,9,12-16,18,20-22,29-37,39,43-44,90H2,1-8H3,(H2,91,116)(H,98,119)(H,103,122)(H,104,121)(H,105,117)(H,106,120)(H,107,123)(H,108,126)(H,109,125)(H,110,124)(H,111,127)(H,112,128)(H,113,118)(H,129,130)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t48-,58-,60-,61-,62-,63-,64-,65-,66-,67-,73-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ER-alpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence polarizat...				Bioorg Med Chem 25: 1756-1761 (2017) Article DOI: 10.1016/j.bmc.2016.11.042 BindingDB Entry DOI: 10.7270/Q2V40XD9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50228869 (CHEMBL4081947) Show SMILES CC[C@H](C)[C@H](NC(=O)CN1CCSCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C94H135N25O20S/c1-9-52(8)78(118-77(125)48-119-36-38-140-37-31-75(123)109-63(20-14-33-104-91(97)98)82(129)114-67(89(119)136)19-12-13-32-103-80(127)53-23-26-59-58(42-53)90(137)139-94(59)60-27-24-55(120)44-72(60)138-73-45-56(121)25-28-61(73)94)88(135)117-71(41-51(6)7)86(133)112-64(21-15-34-105-92(99)100)83(130)111-65(22-16-35-106-93(101)102)84(131)115-70(40-50(4)5)87(134)116-69(39-49(2)3)85(132)113-66(29-30-74(95)122)81(128)108-47-76(124)110-68(79(96)126)43-54-46-107-62-18-11-10-17-57(54)62/h10-11,17-18,23-28,42,44-46,49-52,63-71,78,107,120-121H,9,12-16,19-22,29-41,43,47-48H2,1-8H3,(H2,95,122)(H2,96,126)(H,103,127)(H,108,128)(H,109,123)(H,110,124)(H,111,130)(H,112,133)(H,113,132)(H,114,129)(H,115,131)(H,116,134)(H,117,135)(H,118,125)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t52-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ER-alpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence polarizat...				Bioorg Med Chem 25: 1756-1761 (2017) Article DOI: 10.1016/j.bmc.2016.11.042 BindingDB Entry DOI: 10.7270/Q2V40XD9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494961 (CHEMBL3099428 | US10570077, Compound 11) Show SMILES [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O2/c1-14(10-12-23)20-7-8-21-19-5-3-15-13-16(24)4-6-17(15)18(19)9-11-22(20,21)2/h4,6-7,13-14,18-19,21,23-24H,3,5,8-12H2,1-2H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494959 (CHEMBL3099429) Show SMILES [H][C@@]12CC[C@H](C(=O)OCCC)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C22H30O3/c1-3-12-25-21(24)20-9-8-19-18-6-4-14-13-15(23)5-7-16(14)17(18)10-11-22(19,20)2/h5,7,13,17-20,23H,3-4,6,8-12H2,1-2H3/t17-,18-,19+,20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM435385 (US10570077, Compound 4) Show SMILES CCCOC(=O)C1=CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r,t:6| Show InChI InChI=1S/C22H28O3/c1-3-12-25-21(24)20-9-8-19-18-6-4-14-13-15(23)5-7-16(14)17(18)10-11-22(19,20)2/h5,7,9,13,17-19,23H,3-4,6,8,10-12H2,1-2H3/t17-,18-,19+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50494961 (CHEMBL3099428 | US10570077, Compound 11) Show SMILES [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r,t:3| Show InChI InChI=1S/C22H30O2/c1-14(10-12-23)20-7-8-21-19-5-3-15-13-16(24)4-6-17(15)18(19)9-11-22(20,21)2/h4,6-7,13-14,18-19,21,23-24H,3,5,8-12H2,1-2H3/t14-,18+,19+,21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462980 (CHEMBL4243758) Show SMILES CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:13| Show InChI InChI=1S/C63H101N19O17/c1-34(2)24-42(53(91)74-40(17-19-48(65)85)52(90)77-46(28-50(87)88)57(95)78-47(31-83)51(67)89)79-61(99)63(7)22-14-11-9-8-10-13-21-62(6,81-58(96)39(16-12-15-23-64)73-55(93)44(72-36(5)84)26-37-29-68-32-70-37)60(98)80-43(25-35(3)4)54(92)76-45(27-38-30-69-33-71-38)56(94)75-41(59(97)82-63)18-20-49(66)86/h8-9,29-30,32-35,39-47,83H,10-28,31,64H2,1-7H3,(H2,65,85)(H2,66,86)(H2,67,89)(H,68,70)(H,69,71)(H,72,84)(H,73,93)(H,74,91)(H,75,94)(H,76,92)(H,77,90)(H,78,95)(H,79,99)(H,80,98)(H,81,96)(H,82,97)(H,87,88)/b9-8-/t39-,40-,41-,42-,43-,44-,45-,46-,47-,62-,63-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	352	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50140252 (CHEMBL3754474) Show SMILES CC(C)C[C@H](NC(=O)[C@]1(C)CCCCCCCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C63H103N19O17/c1-34(2)24-42(53(91)74-40(17-19-48(65)85)52(90)77-46(28-50(87)88)57(95)78-47(31-83)51(67)89)79-61(99)63(7)22-14-11-9-8-10-13-21-62(6,81-58(96)39(16-12-15-23-64)73-55(93)44(72-36(5)84)26-37-29-68-32-70-37)60(98)80-43(25-35(3)4)54(92)76-45(27-38-30-69-33-71-38)56(94)75-41(59(97)82-63)18-20-49(66)86/h29-30,32-35,39-47,83H,8-28,31,64H2,1-7H3,(H2,65,85)(H2,66,86)(H2,67,89)(H,68,70)(H,69,71)(H,72,84)(H,73,93)(H,74,91)(H,75,94)(H,76,92)(H,77,90)(H,78,95)(H,79,99)(H,80,98)(H,81,96)(H,82,97)(H,87,88)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,62-,63-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	352	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Binding affinity to ERalpha (unknown origin)				Bioorg Med Chem Lett 26: 707-13 (2016) Article DOI: 10.1016/j.bmcl.2015.12.084 BindingDB Entry DOI: 10.7270/Q2668G28
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50228836 (CHEMBL4060042) Show SMILES CC[C@H](C)[C@H](NC(=O)CN1CC[S+]([O-])CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C94H135N25O21S/c1-9-52(8)78(118-77(125)48-119-36-38-141(138)37-31-75(123)109-63(20-14-33-104-91(97)98)82(129)114-67(89(119)136)19-12-13-32-103-80(127)53-23-26-59-58(42-53)90(137)140-94(59)60-27-24-55(120)44-72(60)139-73-45-56(121)25-28-61(73)94)88(135)117-71(41-51(6)7)86(133)112-64(21-15-34-105-92(99)100)83(130)111-65(22-16-35-106-93(101)102)84(131)115-70(40-50(4)5)87(134)116-69(39-49(2)3)85(132)113-66(29-30-74(95)122)81(128)108-47-76(124)110-68(79(96)126)43-54-46-107-62-18-11-10-17-57(54)62/h10-11,17-18,23-28,42,44-46,49-52,63-71,78,107,120-121H,9,12-16,19-22,29-41,43,47-48H2,1-8H3,(H2,95,122)(H2,96,126)(H,103,127)(H,108,128)(H,109,123)(H,110,124)(H,111,130)(H,112,133)(H,113,132)(H,114,129)(H,115,131)(H,116,134)(H,117,135)(H,118,125)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t52-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,141?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ER-alpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence polarizat...				Bioorg Med Chem 25: 1756-1761 (2017) Article DOI: 10.1016/j.bmc.2016.11.042 BindingDB Entry DOI: 10.7270/Q2V40XD9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50228836 (CHEMBL4060042) Show SMILES CC[C@H](C)[C@H](NC(=O)CN1CC[S+]([O-])CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C94H135N25O21S/c1-9-52(8)78(118-77(125)48-119-36-38-141(138)37-31-75(123)109-63(20-14-33-104-91(97)98)82(129)114-67(89(119)136)19-12-13-32-103-80(127)53-23-26-59-58(42-53)90(137)140-94(59)60-27-24-55(120)44-72(60)139-73-45-56(121)25-28-61(73)94)88(135)117-71(41-51(6)7)86(133)112-64(21-15-34-105-92(99)100)83(130)111-65(22-16-35-106-93(101)102)84(131)115-70(40-50(4)5)87(134)116-69(39-49(2)3)85(132)113-66(29-30-74(95)122)81(128)108-47-76(124)110-68(79(96)126)43-54-46-107-62-18-11-10-17-57(54)62/h10-11,17-18,23-28,42,44-46,49-52,63-71,78,107,120-121H,9,12-16,19-22,29-41,43,47-48H2,1-8H3,(H2,95,122)(H2,96,126)(H,103,127)(H,108,128)(H,109,123)(H,110,124)(H,111,130)(H,112,133)(H,113,132)(H,114,129)(H,115,131)(H,116,134)(H,117,135)(H,118,125)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t52-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,141?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ER-alpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence polarizat...				Bioorg Med Chem 25: 1756-1761 (2017) Article DOI: 10.1016/j.bmc.2016.11.042 BindingDB Entry DOI: 10.7270/Q2V40XD9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462981 (CHEMBL4247363) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@](C)(CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |r,c:13| Show InChI InChI=1S/C64H103N17O16/c1-12-37(8)51-60(95)76-43(24-35(4)5)55(90)74-46(27-40-30-68-33-70-40)59(94)81-63(10,21-17-15-13-14-16-18-22-64(11,62(97)79-51)80-58(93)45(71-38(9)83)26-39-29-67-32-69-39)61(96)78-44(25-36(6)7)56(91)73-42(23-34(2)3)54(89)72-41(19-20-49(65)84)53(88)75-47(28-50(85)86)57(92)77-48(31-82)52(66)87/h13-14,29-30,32-37,41-48,51,82H,12,15-28,31H2,1-11H3,(H2,65,84)(H2,66,87)(H,67,69)(H,68,70)(H,71,83)(H,72,89)(H,73,91)(H,74,90)(H,75,88)(H,76,95)(H,77,92)(H,78,96)(H,79,97)(H,80,93)(H,81,94)(H,85,86)/b14-13-/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-,63-,64-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	674	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462994 (CHEMBL4249352) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C82H142N28O21S/c1-12-44(10)64(109-72(123)50(17-13-14-26-83)99-76(127)59(33-46-35-91-38-95-46)106-69(120)51(18-15-27-93-81(87)88)98-71(122)54(22-25-63(115)116)102-80(131)65(45(11)111)110-78(129)58(32-43(8)9)103-67(118)48(84)37-132)79(130)108-57(31-42(6)7)75(126)107-60(34-47-36-92-39-96-47)77(128)100-52(19-16-28-94-82(89)90)68(119)104-56(30-41(4)5)74(125)105-55(29-40(2)3)73(124)101-53(20-23-61(85)112)70(121)97-49(66(86)117)21-24-62(113)114/h35-36,38-45,48-60,64-65,111,132H,12-34,37,83-84H2,1-11H3,(H2,85,112)(H2,86,117)(H,91,95)(H,92,96)(H,97,121)(H,98,122)(H,99,127)(H,100,128)(H,101,124)(H,102,131)(H,103,118)(H,104,119)(H,105,125)(H,106,120)(H,107,126)(H,108,130)(H,109,123)(H,110,129)(H,113,114)(H,115,116)(H4,87,88,93)(H4,89,90,94)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-,65-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Displacement of THC-ketone from human ERalpha LBD (304 to 554 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence assay				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50466084 (CHEMBL3099433) Show SMILES OC[C@H]1CCC[C@H](CC1)c1ccc(O)cc1 |r| Show InChI InChI=1S/C14H20O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,1-5,10H2/t11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay				Bioorg Med Chem 22: 303-10 (2014) Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM435392 (US10570077, Compound 18) Show SMILES OC[C@H]1C=CC[C@H](C=C1)c1ccc(O)cc1 |r,c:3,7| Show InChI InChI=1S/C14H16O2/c15-10-11-2-1-3-12(5-4-11)13-6-8-14(16)9-7-13/h1-2,4-9,11-12,15-16H,3,10H2/t11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Marquette University; Concordia University Inc. US Patent					Assay Description Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...				US Patent US10570077 (2020) BindingDB Entry DOI: 10.7270/Q2P271H9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462978 (CHEMBL4243051) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C62H105N21O16/c1-10-34(8)50(83-54(92)38(14-11-12-18-63)74-58(96)44(73-35(9)85)23-36-26-68-29-71-36)61(99)81-43(22-33(6)7)57(95)79-45(24-37-27-69-30-72-37)59(97)75-39(15-13-19-70-62(66)67)52(90)77-42(21-32(4)5)56(94)78-41(20-31(2)3)55(93)76-40(16-17-48(64)86)53(91)80-46(25-49(87)88)60(98)82-47(28-84)51(65)89/h26-27,29-34,38-47,50,84H,10-25,28,63H2,1-9H3,(H2,64,86)(H2,65,89)(H,68,71)(H,69,72)(H,73,85)(H,74,96)(H,75,97)(H,76,93)(H,77,90)(H,78,94)(H,79,95)(H,80,91)(H,81,99)(H,82,98)(H,83,92)(H,87,88)(H4,66,67,70)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50540839 (CHEMBL4649444) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C60H102N20O16/c1-9-33(8)48(80-52(88)37(13-10-11-17-61)71-49(85)36(62)22-34-25-66-28-69-34)58(94)78-42(21-32(6)7)55(91)76-43(23-35-26-67-29-70-35)56(92)72-38(14-12-18-68-60(64)65)50(86)74-41(20-31(4)5)54(90)75-40(19-30(2)3)53(89)73-39(15-16-46(63)82)51(87)77-44(24-47(83)84)57(93)79-45(27-81)59(95)96/h25-26,28-33,36-45,48,81H,9-24,27,61-62H2,1-8H3,(H2,63,82)(H,66,69)(H,67,70)(H,71,85)(H,72,92)(H,73,89)(H,74,86)(H,75,90)(H,76,91)(H,77,87)(H,78,94)(H,79,93)(H,80,88)(H,83,84)(H,95,96)(H4,64,65,68)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,48-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Binding affinity to IPTG-induced human ER alpha LBD (301 to 553 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of ER alpha...				ACS Med Chem Lett 11: 1047-1053 (2020) Article DOI: 10.1021/acsmedchemlett.9b00620 BindingDB Entry DOI: 10.7270/Q20K2D3J
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462978 (CHEMBL4243051) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C62H105N21O16/c1-10-34(8)50(83-54(92)38(14-11-12-18-63)74-58(96)44(73-35(9)85)23-36-26-68-29-71-36)61(99)81-43(22-33(6)7)57(95)79-45(24-37-27-69-30-72-37)59(97)75-39(15-13-19-70-62(66)67)52(90)77-42(21-32(4)5)56(94)78-41(20-31(2)3)55(93)76-40(16-17-48(64)86)53(91)80-46(25-49(87)88)60(98)82-47(28-84)51(65)89/h26-27,29-34,38-47,50,84H,10-25,28,63H2,1-9H3,(H2,64,86)(H2,65,89)(H,68,71)(H,69,72)(H,73,85)(H,74,96)(H,75,97)(H,76,93)(H,77,90)(H,78,94)(H,79,95)(H,80,91)(H,81,99)(H,82,98)(H,83,92)(H,87,88)(H4,66,67,70)/t34-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged ERalpha LBD (unknown origin) (299 to 554 residues) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462977 (CHEMBL4247980) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](C(C)C)C(N)=O |r,c:90| Show InChI InChI=1S/C82H137N23O21/c1-14-47(10)65(102-68(114)51(23-19-22-30-83)92-72(118)57(91-48(11)109)34-49-36-87-41-89-49)78(124)98-56(33-45(6)7)71(117)97-58(35-50-37-88-42-90-50)73(119)93-52(24-26-62(84)110)67(113)95-55(32-44(4)5)70(116)96-54(31-43(2)3)69(115)94-53(25-27-63(85)111)76(122)104-81(12)28-20-17-15-16-18-21-29-82(13,80(126)103-64(46(8)9)66(86)112)105-77(123)61(40-108)100-74(120)59(38-106)99-75(121)60(39-107)101-79(81)125/h15-16,36-37,41-47,51-61,64-65,106-108H,14,17-35,38-40,83H2,1-13H3,(H2,84,110)(H2,85,111)(H2,86,112)(H,87,89)(H,88,90)(H,91,109)(H,92,118)(H,93,119)(H,94,115)(H,95,113)(H,96,116)(H,97,117)(H,98,124)(H,99,121)(H,100,120)(H,101,125)(H,102,114)(H,103,126)(H,104,122)(H,105,123)/b16-15-/t47-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-,81-,82-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462982 (CHEMBL4244200) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r,c:22| Show InChI InChI=1S/C86H147N23O23/c1-12-50(8)69(107-75(123)54(26-18-23-37-88)106-84(132)86(11)35-21-16-14-13-15-20-34-85(10,108-51(9)111)83(131)105-53(25-17-22-36-87)71(119)96-58(30-33-67(114)115)72(120)95-55(81(129)109-86)27-19-24-38-89)82(130)103-61(41-49(6)7)78(126)101-62(42-52-44-93-46-94-52)79(127)98-56(28-31-65(90)112)73(121)99-60(40-48(4)5)77(125)100-59(39-47(2)3)76(124)97-57(29-32-66(91)113)74(122)102-63(43-68(116)117)80(128)104-64(45-110)70(92)118/h13-14,44,46-50,53-64,69,110H,12,15-43,45,87-89H2,1-11H3,(H2,90,112)(H2,91,113)(H2,92,118)(H,93,94)(H,95,120)(H,96,119)(H,97,124)(H,98,127)(H,99,121)(H,100,125)(H,101,126)(H,102,122)(H,103,130)(H,104,128)(H,105,131)(H,106,132)(H,107,123)(H,108,111)(H,109,129)(H,114,115)(H,116,117)/b14-13-/t50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,85-,86-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50462988 (CHEMBL4240553) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CO)C(N)=O |r,c:56| Show InChI InChI=1S/C66H110N18O14/c1-12-40(8)53(82-55(89)44(21-17-20-26-67)75-59(93)49(74-41(9)86)30-42-32-70-35-72-42)62(96)79-47(28-38(4)5)57(91)78-50(31-43-33-71-36-73-43)61(95)84-65(10)24-18-15-13-14-16-19-25-66(11,64(98)81-51(34-85)54(69)88)83-60(94)45(22-23-52(68)87)76-56(90)46(27-37(2)3)77-58(92)48(29-39(6)7)80-63(65)97/h13-14,32-33,35-40,44-51,53,85H,12,15-31,34,67H2,1-11H3,(H2,68,87)(H2,69,88)(H,70,72)(H,71,73)(H,74,86)(H,75,93)(H,76,90)(H,77,92)(H,78,91)(H,79,96)(H,80,97)(H,81,98)(H,82,89)(H,83,94)(H,84,95)/b14-13-/t40-,44-,45-,46-,47-,48-,49-,50-,51-,53-,65-,66-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a
Peking University Shenzhen Graduate School Curated by ChEMBL					Assay Description Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method				Bioorg Med Chem Lett 28: 2827-2836 (2018) Article DOI: 10.1016/j.bmcl.2018.05.062 BindingDB Entry DOI: 10.7270/Q2M90CBB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50552019 (CHEMBL4740172) Show SMILES CC1=C(N(Cc2ccc(OCCN3CCCCCC3)cc2)C2C=CC(O)=CC12)c1ccc(O)cc1 |c:24,27,t:1| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to ERalpha (unknown origin) by SPR assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112375 BindingDB Entry DOI: 10.7270/Q27948B6
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50552020 (CHEMBL4777424) Show SMILES NC(=O)N1N=C(CC1c1cn(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(Br)cc12)c1ccc(cc1)C(F)(F)F |c:4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.72E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to ERalpha (unknown origin) by SPR assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112375 BindingDB Entry DOI: 10.7270/Q27948B6
					More data for this Ligand-Target Pair