Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'misawa' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50171495 (CHEMBL3805318) Show SMILES CCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C35H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-22-36-23-24-40-30-19-14-26(15-20-30)34(39)33-31-21-18-29(38)25-32(31)41-35(33)27-12-16-28(37)17-13-27/h12-21,25,36-38H,2-11,22-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at ERalpha (unknown origin) transfected in 17beta-estradiol induced-HEK293 cells assessed as inhibition of estradiol-mediated pro...				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50171494 (CHEMBL3806167) Show SMILES CCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C33H39NO4S/c1-2-3-4-5-6-7-8-9-20-34-21-22-38-28-17-12-24(13-18-28)32(37)31-29-19-16-27(36)23-30(29)39-33(31)25-10-14-26(35)15-11-25/h10-19,23,34-36H,2-9,20-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at ERalpha (unknown origin) transfected in 17beta-estradiol induced-HEK293 cells assessed as inhibition of estradiol-mediated pro...				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50171499 (CHEMBL3805385) Show SMILES CCCCCCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C41H55NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-42-29-30-46-36-25-20-32(21-26-36)40(45)39-37-27-24-35(44)31-38(37)47-41(39)33-18-22-34(43)23-19-33/h18-27,31,42-44H,2-17,28-30H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50437046 (CHEMBL2403356) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H28O2/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in Hog plasma				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50437046 (CHEMBL2403356) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H28O2/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Antagonist activity at ERalpha (unknown origin) expressed in human MCF7 cells assessed as inhibition of E2-induced response by dual luciferase report...				Bioorg Med Chem 26: 1638-1642 (2018) Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50171495 (CHEMBL3805318) Show SMILES CCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C35H43NO4S/c1-2-3-4-5-6-7-8-9-10-11-22-36-23-24-40-30-19-14-26(15-20-30)34(39)33-31-21-18-29(38)25-32(31)41-35(33)27-12-16-28(37)17-13-27/h12-21,25,36-38H,2-11,22-24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50437046 (CHEMBL2403356) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H28O2/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from full length recombinant human untagged ERalpha expressed in Sf insect cells by fluorescence polarization assay				Bioorg Med Chem 26: 1638-1642 (2018) Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50171498 (CHEMBL3805025) Show SMILES CCCCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C39H51NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26-40-27-28-44-34-23-18-30(19-24-34)38(43)37-35-25-22-33(42)29-36(35)45-39(37)31-16-20-32(41)21-17-31/h16-25,29,40-42H,2-15,26-28H2,1H3	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
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104834 (CHEMBL3597499) Show SMILES [H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r| Show InChI InChI=1S/C48H89N17O10S2/c1-10-26(6)36-45(75)61-31(20-25(4)5)41(71)64-33(22-76-77-23-34(44(74)65-36)63-38(68)27(49)13-11-17-56-46(52)53)43(73)59-29(14-12-18-57-47(54)55)39(69)62-32(21-48(7,8)9)42(72)60-30(19-24(2)3)40(70)58-28(37(51)67)15-16-35(50)66/h24-34,36H,10-23,49H2,1-9H3,(H2,50,66)(H2,51,67)(H,58,70)(H,59,73)(H,60,72)(H,61,75)(H,62,69)(H,63,68)(H,64,71)(H,65,74)(H4,52,53,56)(H4,54,55,57)/t26-,27-,28-,29-,30-,31-,32?,33-,34+,36-/m0/s1	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
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50171497 (CHEMBL3804907) Show SMILES CCCCCCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C37H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-38-25-26-42-32-21-16-28(17-22-32)36(41)35-33-23-20-31(40)27-34(33)43-37(35)29-14-18-30(39)19-15-29/h14-23,27,38-40H,2-13,24-26H2,1H3	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
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Mus musculus)	BDBM20608 (4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...) Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at estrogen receptor in mouse GT1-7 cells harboring beta-galactosidase reporter gene assessed as reduction in 17beta-estradiol in...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50104835 (CHEMBL3597498) Show SMILES [H][C@]1(NC(=O)[C@@H](CSSC[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)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC |r| Show InChI InChI=1S/C47H87N15O10S2/c1-9-27(8)37-46(72)59-33(21-26(6)7)43(69)61-34(22-73-74-23-35(45(71)62-37)60-39(65)28(49)13-10-11-17-48)44(70)56-30(14-12-18-54-47(52)53)40(66)57-32(20-25(4)5)42(68)58-31(19-24(2)3)41(67)55-29(38(51)64)15-16-36(50)63/h24-35,37H,9-23,48-49H2,1-8H3,(H2,50,63)(H2,51,64)(H,55,67)(H,56,70)(H,57,66)(H,58,68)(H,59,72)(H,60,65)(H,61,69)(H,62,71)(H4,52,53,54)/t27-,28-,29-,30-,31-,32-,33-,34-,35+,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50171494 (CHEMBL3806167) Show SMILES CCCCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C33H39NO4S/c1-2-3-4-5-6-7-8-9-20-34-21-22-38-28-17-12-24(13-18-28)32(37)31-29-19-16-27(36)23-30(29)39-33(31)25-10-14-26(35)15-11-25/h10-19,23,34-36H,2-9,20-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50171493 (CHEMBL3805170) Show SMILES CCCCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C31H35NO4S/c1-2-3-4-5-6-7-18-32-19-20-36-26-15-10-22(11-16-26)30(35)29-27-17-14-25(34)21-28(27)37-31(29)23-8-12-24(33)13-9-23/h8-17,21,32-34H,2-7,18-20H2,1H3	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
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50171492 (CHEMBL3805921) Show SMILES CCCCCCNCCOc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H31NO4S/c1-2-3-4-5-16-30-17-18-34-24-13-8-20(9-14-24)28(33)27-25-15-12-23(32)19-26(25)35-29(27)21-6-10-22(31)11-7-21/h6-15,19,30-32H,2-5,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay				Bioorg Med Chem 24: 2914-2919 (2016) Article DOI: 10.1016/j.bmc.2016.04.068 BindingDB Entry DOI: 10.7270/Q21V5GWW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240314 (CHEMBL4059760) Show SMILES CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H24O3/c1-3-11-19(12-4-2,14-5-8-16(20)9-6-14)15-7-10-17(21)18(22)13-15/h5-10,13,20-22H,3-4,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter ge...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104800 (CHEMBL3597509) Show SMILES [H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r| Show InChI InChI=1S/C96H182N48O20S2/c1-10-50(6)70-86(164)140-62(41-49(4)5)82(160)143-64(46-165-166-47-65(85(163)144-70)142-72(150)51(97)20-11-31-118-87(100)101)84(162)137-59(28-19-39-126-95(116)117)80(158)141-63(42-96(7,8)9)83(161)139-61(40-48(2)3)81(159)138-60(29-30-66(98)145)73(151)129-44-68(147)127-43-67(146)128-45-69(148)130-53(22-13-33-120-89(104)105)74(152)132-55(24-15-35-122-91(108)109)76(154)134-57(26-17-37-124-93(112)113)78(156)136-58(27-18-38-125-94(114)115)79(157)135-56(25-16-36-123-92(110)111)77(155)133-54(23-14-34-121-90(106)107)75(153)131-52(71(99)149)21-12-32-119-88(102)103/h48-65,70H,10-47,97H2,1-9H3,(H2,98,145)(H2,99,149)(H,127,147)(H,128,146)(H,129,151)(H,130,148)(H,131,153)(H,132,152)(H,133,155)(H,134,154)(H,135,157)(H,136,156)(H,137,162)(H,138,159)(H,139,161)(H,140,164)(H,141,158)(H,142,150)(H,143,160)(H,144,163)(H4,100,101,118)(H4,102,103,119)(H4,104,105,120)(H4,106,107,121)(H4,108,109,122)(H4,110,111,123)(H4,112,113,124)(H4,114,115,125)(H4,116,117,126)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,70-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104804 (CHEMBL3597505) Show SMILES [H][C@]1(NC(=O)[C@@H](C\C=C/C[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r,c:7| Show InChI InChI=1S/C50H91N17O10/c1-10-28(6)38-47(77)65-35(24-27(4)5)45(75)63-31(16-11-12-17-32(43(73)67-38)61-40(70)29(51)15-13-21-58-48(54)55)41(71)62-33(18-14-22-59-49(56)57)42(72)66-36(25-50(7,8)9)46(76)64-34(23-26(2)3)44(74)60-30(39(53)69)19-20-37(52)68/h11-12,26-36,38H,10,13-25,51H2,1-9H3,(H2,52,68)(H2,53,69)(H,60,74)(H,61,70)(H,62,71)(H,63,75)(H,64,76)(H,65,77)(H,66,72)(H,67,73)(H4,54,55,58)(H4,56,57,59)/b12-11-/t28-,29-,30-,31-,32+,33-,34-,35-,36?,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240313 (CHEMBL4103516) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN(C)C)c(C)c1 Show InChI InChI=1S/C25H37NO2/c1-7-13-25(14-8-2,21-9-11-23(27)19(3)17-21)22-10-12-24(20(4)18-22)28-16-15-26(5)6/h9-12,17-18,27H,7-8,13-16H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter ge...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240312 (CHEMBL4075785) Show SMILES CCC(CC)(c1ccc(O)cc1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C17H20O3/c1-3-17(4-2,12-5-8-14(18)9-6-12)13-7-10-15(19)16(20)11-13/h5-11,18-20H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter ge...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240310 (CHEMBL4080172) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C20H26O3/c1-4-10-20(11-5-2,15-6-8-17(21)14(3)12-15)16-7-9-18(22)19(23)13-16/h6-9,12-13,21-23H,4-5,10-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter ge...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50460592 (CHEMBL4225034) Show SMILES CCCC(CCC)(c1ccc([nH]1)C(=O)OCC)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H29NO3/c1-5-12-21(13-6-2,16-8-10-18(23)15(4)14-16)19-11-9-17(22-19)20(24)25-7-3/h8-11,14,22-23H,5-7,12-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from full length recombinant human untagged ERalpha expressed in Sf insect cells by fluorescence polarization assay				Bioorg Med Chem 26: 1638-1642 (2018) Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240309 (CHEMBL4098201) Show SMILES CCCC(CCC)(c1ccc(OCCN(C)C)c(C)c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C24H35NO3/c1-6-12-24(13-7-2,20-8-10-21(26)22(27)17-20)19-9-11-23(18(3)16-19)28-15-14-25(4)5/h8-11,16-17,26-27H,6-7,12-15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter ge...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240308 (CHEMBL4079256) Show SMILES CCCC(CCC)(c1ccc(O)c(C)c1)c1cc(C)c(O)c(O)c1 Show InChI InChI=1S/C21H28O3/c1-5-9-21(10-6-2,16-7-8-18(22)14(3)11-16)17-12-15(4)20(24)19(23)13-17/h7-8,11-13,22-24H,5-6,9-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter ge...				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104805 (CHEMBL3597504) Show SMILES [H][C@]1(NC(=O)[C@@H](C\C=C\C[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r,t:7| Show InChI InChI=1S/C50H91N17O10/c1-10-28(6)38-47(77)65-35(24-27(4)5)45(75)63-31(16-11-12-17-32(43(73)67-38)61-40(70)29(51)15-13-21-58-48(54)55)41(71)62-33(18-14-22-59-49(56)57)42(72)66-36(25-50(7,8)9)46(76)64-34(23-26(2)3)44(74)60-30(39(53)69)19-20-37(52)68/h11-12,26-36,38H,10,13-25,51H2,1-9H3,(H2,52,68)(H2,53,69)(H,60,74)(H,61,70)(H,62,71)(H,63,75)(H,64,76)(H,65,77)(H,66,72)(H,67,73)(H4,54,55,58)(H4,56,57,59)/b12-11+/t28-,29-,30-,31-,32+,33-,34-,35-,36?,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50460592 (CHEMBL4225034) Show SMILES CCCC(CCC)(c1ccc([nH]1)C(=O)OCC)c1ccc(O)c(C)c1 Show InChI InChI=1S/C21H29NO3/c1-5-12-21(13-6-2,16-8-10-18(23)15(4)14-16)19-11-9-17(22-19)20(24)25-7-3/h8-11,14,22-23H,5-7,12-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Antagonist activity at ERalpha (unknown origin) expressed in human MCF7 cells assessed as inhibition of E2-induced response by dual luciferase report...				Bioorg Med Chem 26: 1638-1642 (2018) Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50460598 (CHEMBL4226152) Show SMILES CCCC(CCC)(c1c[nH]c2cc(OCc3ccccc3)ccc12)c1ccc(O)c(C)c1 Show InChI InChI=1S/C29H33NO2/c1-4-15-29(16-5-2,23-11-14-28(31)21(3)17-23)26-19-30-27-18-24(12-13-25(26)27)32-20-22-9-7-6-8-10-22/h6-14,17-19,30-31H,4-5,15-16,20H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	613	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from full length recombinant human untagged ERalpha expressed in Sf insect cells by fluorescence polarization assay				Bioorg Med Chem 26: 1638-1642 (2018) Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104808 (CHEMBL3597501) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50240311 (CHEMBL4088044) Show SMILES CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O3/c1-4-18(5-2,13-6-8-15(19)12(3)10-13)14-7-9-16(20)17(21)11-14/h6-11,19-21H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	664	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in Hog plasma				Bioorg Med Chem Lett 27: 2590-2593 (2017) Article DOI: 10.1016/j.bmcl.2017.03.066 BindingDB Entry DOI: 10.7270/Q2S184N9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104807 (CHEMBL3597502) Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C47H90N16O9/c1-12-27(8)36(63-40(68)30(14-3)57-37(65)28(48)17-15-19-54-45(50)51)44(72)61-33(22-26(6)7)42(70)58-29(13-2)39(67)59-31(18-16-20-55-46(52)53)41(69)62-34(23-47(9,10)11)43(71)60-32(21-25(4)5)38(66)56-24-35(49)64/h25-34,36H,12-24,48H2,1-11H3,(H2,49,64)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,72)(H,62,69)(H,63,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29?,30?,31-,32-,33-,34?,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50012275 (CHEMBL3260000) Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at human LXR-beta expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporter...				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50012275 (CHEMBL3260000) Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104801 (CHEMBL3597508) Show SMILES [H][C@]1(NC(=O)[C@@H](CSSC[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(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC |r| Show InChI InChI=1S/C95H180N46O20S2/c1-9-51(8)71-87(161)138-64(42-50(6)7)84(158)140-65(46-162-163-47-66(86(160)141-71)139-73(147)52(97)20-10-11-31-96)85(159)134-60(28-19-39-123-95(114)115)81(155)136-63(41-49(4)5)83(157)137-62(40-48(2)3)82(156)135-61(29-30-67(98)142)74(148)126-44-69(144)124-43-68(143)125-45-70(145)127-54(22-13-33-117-89(102)103)75(149)129-56(24-15-35-119-91(106)107)77(151)131-58(26-17-37-121-93(110)111)79(153)133-59(27-18-38-122-94(112)113)80(154)132-57(25-16-36-120-92(108)109)78(152)130-55(23-14-34-118-90(104)105)76(150)128-53(72(99)146)21-12-32-116-88(100)101/h48-66,71H,9-47,96-97H2,1-8H3,(H2,98,142)(H2,99,146)(H,124,144)(H,125,143)(H,126,148)(H,127,145)(H,128,150)(H,129,149)(H,130,152)(H,131,151)(H,132,154)(H,133,153)(H,134,159)(H,135,156)(H,136,155)(H,137,157)(H,138,161)(H,139,147)(H,140,158)(H,141,160)(H4,100,101,116)(H4,102,103,117)(H4,104,105,118)(H4,106,107,119)(H4,108,109,120)(H4,110,111,121)(H4,112,113,122)(H4,114,115,123)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,71-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	749	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50012274 (CHEMBL3259999) Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104797 (CHEMBL3597514) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C51H96N30O9/c52-29(26-27-15-17-28(82)18-16-27)38(84)76-31(9-2-20-69-46(56)57)40(86)78-33(11-4-22-71-48(60)61)42(88)80-35(13-6-24-73-50(64)65)44(90)81-36(14-7-25-74-51(66)67)43(89)79-34(12-5-23-72-49(62)63)41(87)77-32(10-3-21-70-47(58)59)39(85)75-30(37(53)83)8-1-19-68-45(54)55/h15-18,29-36,82H,1-14,19-26,52H2,(H2,53,83)(H,75,85)(H,76,84)(H,77,87)(H,78,86)(H,79,89)(H,80,88)(H,81,90)(H4,54,55,68)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104809 (CHEMBL3597500) Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC)NC(=O)[C@@H](N)CCCNC(N)=N)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)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104806 (CHEMBL3597503) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC=C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(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/C52H95N17O10/c1-12-17-33(64-47(77)37(26-29(6)7)67-49(79)40(30(8)14-3)69-45(75)34(18-13-2)63-42(72)31(53)19-15-23-60-50(56)57)43(73)65-35(20-16-24-61-51(58)59)44(74)68-38(27-52(9,10)11)48(78)66-36(25-28(4)5)46(76)62-32(41(55)71)21-22-39(54)70/h12-13,28-38,40H,1-2,14-27,53H2,3-11H3,(H2,54,70)(H2,55,71)(H,62,76)(H,63,72)(H,64,77)(H,65,73)(H,66,78)(H,67,79)(H,68,74)(H,69,75)(H4,56,57,60)(H4,58,59,61)/t30-,31-,32-,33?,34+,35-,36-,37-,38?,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104798 (CHEMBL3597513) 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)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104803 (CHEMBL3597506) Show SMILES [H][C@]1(NC(=O)[C@@H](CCCC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r| Show InChI InChI=1S/C50H93N17O10/c1-10-28(6)38-47(77)65-35(24-27(4)5)45(75)63-31(16-11-12-17-32(43(73)67-38)61-40(70)29(51)15-13-21-58-48(54)55)41(71)62-33(18-14-22-59-49(56)57)42(72)66-36(25-50(7,8)9)46(76)64-34(23-26(2)3)44(74)60-30(39(53)69)19-20-37(52)68/h26-36,38H,10-25,51H2,1-9H3,(H2,52,68)(H2,53,69)(H,60,74)(H,61,70)(H,62,71)(H,63,75)(H,64,76)(H,65,77)(H,66,72)(H,67,73)(H4,54,55,58)(H4,56,57,59)/t28-,29-,30-,31-,32+,33-,34-,35-,36?,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104799 (CHEMBL3597510) Show SMILES [H][C@]1(NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=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(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC |r| Show InChI InChI=1S/C96H182N48O20S2/c1-10-50(6)70-86(164)140-62(41-49(4)5)82(160)143-64(84(162)138-60(28-19-39-126-95(116)117)80(158)141-63(42-96(7,8)9)83(161)139-61(40-48(2)3)81(159)131-52(71(99)149)29-30-66(98)145)46-165-166-47-65(85(163)144-70)142-74(152)54(22-13-33-120-89(104)105)130-69(148)45-128-67(146)43-127-68(147)44-129-73(151)53(21-12-32-119-88(102)103)133-76(154)56(24-15-35-122-91(108)109)135-78(156)58(26-17-37-124-93(112)113)137-79(157)59(27-18-38-125-94(114)115)136-77(155)57(25-16-36-123-92(110)111)134-75(153)55(23-14-34-121-90(106)107)132-72(150)51(97)20-11-31-118-87(100)101/h48-65,70H,10-47,97H2,1-9H3,(H2,98,145)(H2,99,149)(H,127,147)(H,128,146)(H,129,151)(H,130,148)(H,131,159)(H,132,150)(H,133,154)(H,134,153)(H,135,156)(H,136,155)(H,137,157)(H,138,162)(H,139,161)(H,140,164)(H,141,158)(H,142,152)(H,143,160)(H,144,163)(H4,100,101,118)(H4,102,103,119)(H4,104,105,120)(H4,106,107,121)(H4,108,109,122)(H4,110,111,123)(H4,112,113,124)(H4,114,115,125)(H4,116,117,126)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-,65+,70-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50104802 (CHEMBL3597507) 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(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Health Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method				Bioorg Med Chem 23: 4132-8 (2015) Article DOI: 10.1016/j.bmc.2015.06.067 BindingDB Entry DOI: 10.7270/Q2V989T0
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50460594 (CHEMBL4225619) Show SMILES CCCC(CCC)(c1ccc(C(=O)OCC)n1C)c1ccc(O)c(C)c1 Show InChI InChI=1S/C22H31NO3/c1-6-13-22(14-7-2,17-9-11-19(24)16(4)15-17)20-12-10-18(23(20)5)21(25)26-8-3/h9-12,15,24H,6-8,13-14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from full length recombinant human untagged ERalpha expressed in Sf insect cells by fluorescence polarization assay				Bioorg Med Chem 26: 1638-1642 (2018) Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50012273 (CHEMBL1765174) Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50460597 (CHEMBL4225888) Show SMILES CCCC(CCC)(c1cc(C)cs1)c1ccc(O)c(C)c1 Show InChI InChI=1S/C19H26OS/c1-5-9-19(10-6-2,18-11-14(3)13-21-18)16-7-8-17(20)15(4)12-16/h7-8,11-13,20H,5-6,9-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of Fluormone ES2 from full length recombinant human untagged ERalpha expressed in Sf insect cells by fluorescence polarization assay				Bioorg Med Chem 26: 1638-1642 (2018) Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50012276 (CHEMBL3260001) Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50012275 (CHEMBL3260000) Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at human LXR-alpha expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporte...				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50012260 (CHEMBL1091939) Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50012277 (CHEMBL3260002) Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair

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