Compile Data Set for Download or QSAR

Found 349 hits with Last Name = 'xiong' and Initial = 'r'   

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))	BDBM50090462 (CHEMBL3581693 | US20240043442, Example GDC-0810) Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233215 (CHEMBL4070169) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(C)c1 Show InChI InChI=1S/C26H20O5S/c1-15-3-10-20(16(2)13-15)24(30)26-25(21-11-7-18(27)14-22(21)32-26)31-19-8-4-17(5-9-19)6-12-23(28)29/h3-14,27H,1-2H3,(H,28,29)/b12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233216 (CHEMBL4081807) Show SMILES Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H19ClO5S/c1-14-11-17(27)12-15(2)23(14)24(31)26-25(20-9-6-18(28)13-21(20)33-26)32-19-7-3-16(4-8-19)5-10-22(29)30/h3-13,28H,1-2H3,(H,29,30)/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233203 (CHEMBL4098867) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H17FO5S/c1-14-12-16(26)5-9-19(14)23(30)25-24(20-10-6-17(27)13-21(20)32-25)31-18-7-2-15(3-8-18)4-11-22(28)29/h2-13,27H,1H3,(H,28,29)/b11-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233205 (CHEMBL4059888) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H19FO5S/c1-14-11-17(27)12-15(2)23(14)24(31)26-25(20-9-6-18(28)13-21(20)33-26)32-19-7-3-16(4-8-19)5-10-22(29)30/h3-13,28H,1-2H3,(H,29,30)/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233202 (CHEMBL4092208) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H18O5S/c1-15-4-2-3-5-19(15)23(29)25-24(20-12-9-17(26)14-21(20)31-25)30-18-10-6-16(7-11-18)8-13-22(27)28/h2-14,26H,1H3,(H,27,28)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233204 (CHEMBL4094499) Show SMILES Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H20O5S/c1-15-4-3-5-16(2)23(15)24(30)26-25(20-12-9-18(27)14-21(20)32-26)31-19-10-6-17(7-11-19)8-13-22(28)29/h3-14,27H,1-2H3,(H,28,29)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM50539805 (CHEMBL4644032 | US11840533, Compound 72) Show SMILES Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C31H29N5O2/c1-30(2,38)24-17-20(23-19-35(4)28-21(23)11-15-34-29(28)37)18-25-22(24)12-16-36(25)31(3,26-9-5-7-13-32-26)27-10-6-8-14-33-27/h5-19,38H,1-4H3,(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM50539805 (CHEMBL4644032 | US11840533, Compound 72) Show SMILES Cn1cc(-c2cc(c3ccn(c3c2)C(C)(c2ccccn2)c2ccccn2)C(C)(C)O)c2cc[nH]c(=O)c12 Show InChI InChI=1S/C31H29N5O2/c1-30(2,38)24-17-20(23-19-35(4)28-21(23)11-15-34-29(28)37)18-25-22(24)12-16-36(25)31(3,26-9-5-7-13-32-26)27-10-6-8-14-33-27/h5-19,38H,1-4H3,(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM50539804 (CHEMBL4640025 | US11840533, Compound 71) Show SMILES CC(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H26N6O2/c1-19(37)34-24-16-20(23-18-35(3)28-21(23)10-14-33-29(28)38)17-25-22(24)11-15-36(25)30(2,26-8-4-6-12-31-26)27-9-5-7-13-32-27/h4-18H,1-3H3,(H,33,38)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM50539804 (CHEMBL4640025 | US11840533, Compound 71) Show SMILES CC(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H26N6O2/c1-19(37)34-24-16-20(23-18-35(3)28-21(23)10-14-33-29(28)38)17-25-22(24)11-15-36(25)30(2,26-8-4-6-12-31-26)27-9-5-7-13-32-27/h4-18H,1-3H3,(H,33,38)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM50539801 (CHEMBL4648912 | US11840533, Compound 70) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM50539801 (CHEMBL4648912 | US11840533, Compound 70) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM640358 (N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ncc12)-c1cn(C)c2c(O)nccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM640358 (N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(Cc3ccc(F)cc3)ncc12)-c1cn(C)c2c(O)nccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM640357 (N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM640357 (N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3cnn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [368-440] (Homo sapiens (Human))	BDBM640356 (N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [75-147] (Homo sapiens (Human))	BDBM640356 (N-(1-(4-fluorobenzyl)-6-(7- hydroxy-1-methyl-1H- p...) Show SMILES Cn1cc(-c2cc(NS(C)(=O)=O)c3ccn(Cc4ccc(F)cc4)c3c2)c2ccnc(O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514279 (CHEMBL4527655) Show SMILES CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1 Show InChI InChI=1S/C28H27NO4S/c1-18-16-29(17-18)13-14-32-21-8-10-22(11-9-21)33-27-24-12-7-20(30)15-25(24)34-28(27)26(31)23-6-4-3-5-19(23)2/h3-12,15,18,30H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.257	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514280 (CHEMBL4586663) Show SMILES Oc1ccc2c(Oc3ccc(OC4CN(CCCF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-13-4-14-29-16-22(17-29)32-20-8-10-21(11-9-20)33-26-23-12-7-19(30)15-24(23)34-27(26)25(31)18-5-2-1-3-6-18/h1-3,5-12,15,22,30H,4,13-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50444892 (CHEMBL392916) Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1 Show InChI InChI=1S/C34H42N2O2/c1-2-33(28-10-4-3-5-11-28)34(29-12-16-31(17-13-29)37-26-24-35-20-6-7-21-35)30-14-18-32(19-15-30)38-27-25-36-22-8-9-23-36/h3-5,10-19H,2,6-9,20-27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at ER-alpha in human MCF-7:WS8 cells transfected with an estrogen response element assessed as suppression of estrogen-induced re...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01001 BindingDB Entry DOI: 10.7270/Q2RN3CGZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514280 (CHEMBL4586663) Show SMILES Oc1ccc2c(Oc3ccc(OC4CN(CCCF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-13-4-14-29-16-22(17-29)32-20-8-10-21(11-9-20)33-26-23-12-7-19(30)15-24(23)34-27(26)25(31)18-5-2-1-3-6-18/h1-3,5-12,15,22,30H,4,13-14,16-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.708	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514287 (CHEMBL4532671) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-4-2-3-5-23(18)26(32)28-27(24-11-6-20(31)14-25(24)35-28)34-22-9-7-21(8-10-22)33-13-12-30-16-19(15-29)17-30/h2-11,14,19,31H,12-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.955	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514293 (CHEMBL4515212) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-15-18-16-29(17-18)12-13-32-21-7-9-22(10-8-21)33-26-23-11-6-20(30)14-24(23)34-27(26)25(31)19-4-2-1-3-5-19/h1-11,14,18,30H,12-13,15-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514292 (CHEMBL4533964) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-12-19(31)13-18(2)26(17)27(34)29-28(24-9-4-20(33)14-25(24)37-29)36-22-7-5-21(6-8-22)35-23-15-32(16-23)11-3-10-30/h4-9,12-14,23,33H,3,10-11,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514283 (CHEMBL4524872) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H23F2NO4S/c28-14-17-15-30(16-17)11-12-33-21-6-8-22(9-7-21)34-26-23-10-5-20(31)13-24(23)35-27(26)25(32)18-1-3-19(29)4-2-18/h1-10,13,17,31H,11-12,14-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514284 (CHEMBL4483006) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CC(CF)C3)cc2)c(C)c1 Show InChI InChI=1S/C29H28FNO4S/c1-18-3-9-24(19(2)13-18)27(33)29-28(25-10-4-21(32)14-26(25)36-29)35-23-7-5-22(6-8-23)34-12-11-31-16-20(15-30)17-31/h3-10,13-14,20,32H,11-12,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514282 (CHEMBL4543096) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-11-20(31)12-18(2)26(17)27(34)29-28(24-8-3-21(33)13-25(24)37-29)36-23-6-4-22(5-7-23)35-10-9-32-15-19(14-30)16-32/h3-8,11-13,19,33H,9-10,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514287 (CHEMBL4532671) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-4-2-3-5-23(18)26(32)28-27(24-11-6-20(31)14-25(24)35-28)34-22-9-7-21(8-10-22)33-13-12-30-16-19(15-29)17-30/h2-11,14,19,31H,12-13,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539801 (CHEMBL4648912 | US11840533, Compound 70) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 2 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514279 (CHEMBL4527655) Show SMILES CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1 Show InChI InChI=1S/C28H27NO4S/c1-18-16-29(17-18)13-14-32-21-8-10-22(11-9-21)33-27-24-12-7-20(30)15-25(24)34-28(27)26(31)23-6-4-3-5-19(23)2/h3-12,15,18,30H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514281 (CHEMBL4516021) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCC2)cc1 Show InChI InChI=1S/C27H25NO4S/c1-18-5-2-3-6-22(18)25(30)27-26(23-12-7-19(29)17-24(23)33-27)32-21-10-8-20(9-11-21)31-16-15-28-13-4-14-28/h2-3,5-12,17,29H,4,13-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514286 (CHEMBL4448178) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-5-2-3-6-23(18)26(32)28-27(24-12-7-19(31)15-25(24)35-28)34-21-10-8-20(9-11-21)33-22-16-30(17-22)14-4-13-29/h2-3,5-12,15,22,31H,4,13-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233216 (CHEMBL4081807) Show SMILES Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H19ClO5S/c1-14-11-17(27)12-15(2)23(14)24(31)26-25(20-9-6-18(28)13-21(20)33-26)32-19-7-3-16(4-8-19)5-10-22(29)30/h3-13,28H,1-2H3,(H,29,30)/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514286 (CHEMBL4448178) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-5-2-3-6-23(18)26(32)28-27(24-12-7-19(31)15-25(24)35-28)34-21-10-8-20(9-11-21)33-22-16-30(17-22)14-4-13-29/h2-3,5-12,15,22,31H,4,13-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514290 (CHEMBL4578883) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H25F2NO4S/c1-17-12-19(30)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-31-15-18(14-29)16-31/h2-9,12-13,18,32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514285 (CHEMBL4436707) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@H](CF)C2)cc1 |r| Show InChI InChI=1S/C30H29F2NO4S/c1-18-13-21(32)14-19(2)27(18)28(35)30-29(25-8-3-22(34)15-26(25)38-30)37-24-6-4-23(5-7-24)36-12-11-33-10-9-20(16-31)17-33/h3-8,13-15,20,34H,9-12,16-17H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233205 (CHEMBL4059888) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H19FO5S/c1-14-11-17(27)12-15(2)23(14)24(31)26-25(20-9-6-18(28)13-21(20)33-26)32-19-7-3-16(4-8-19)5-10-22(29)30/h3-13,28H,1-2H3,(H,29,30)/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514292 (CHEMBL4533964) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-12-19(31)13-18(2)26(17)27(34)29-28(24-9-4-20(33)14-25(24)37-29)36-22-7-5-21(6-8-22)35-23-15-32(16-23)11-3-10-30/h4-9,12-14,23,33H,3,10-11,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514282 (CHEMBL4543096) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H27F2NO4S/c1-17-11-20(31)12-18(2)26(17)27(34)29-28(24-8-3-21(33)13-25(24)37-29)36-23-6-4-22(5-7-23)35-10-9-32-15-19(14-30)16-32/h3-8,11-13,19,33H,9-10,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514290 (CHEMBL4578883) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H25F2NO4S/c1-17-12-19(30)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-31-15-18(14-29)16-31/h2-9,12-13,18,32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233204 (CHEMBL4094499) Show SMILES Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H20O5S/c1-15-4-3-5-16(2)23(15)24(30)26-25(20-12-9-18(27)14-21(20)32-26)31-19-10-6-17(7-11-19)8-13-22(28)29/h3-14,27H,1-2H3,(H,28,29)/b13-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514293 (CHEMBL4515212) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C27H24FNO4S/c28-15-18-16-29(17-18)12-13-32-21-7-9-22(10-8-21)33-26-23-11-6-20(30)14-24(23)34-27(26)25(31)19-4-2-1-3-5-19/h1-11,14,18,30H,12-13,15-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233215 (CHEMBL4070169) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(C)c1 Show InChI InChI=1S/C26H20O5S/c1-15-3-10-20(16(2)13-15)24(30)26-25(21-11-7-18(27)14-22(21)32-26)31-19-8-4-17(5-9-19)6-12-23(28)29/h3-14,27H,1-2H3,(H,28,29)/b12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514294 (CHEMBL4564385) Show SMILES Cc1cc(O)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO5S/c1-17-12-19(31)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-30-15-18(14-29)16-30/h2-9,12-13,18,31-32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514289 (CHEMBL4538085) Show SMILES Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H25F2NO4S/c1-17-13-18(30)3-9-23(17)26(33)28-27(24-10-4-19(32)14-25(24)36-28)35-21-7-5-20(6-8-21)34-22-15-31(16-22)12-2-11-29/h3-10,13-14,22,32H,2,11-12,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50539801 (CHEMBL4648912 | US11840533, Compound 70) Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubat...				J Med Chem 63: 7186-7210 (2020) Article DOI: 10.1021/acs.jmedchem.0c00456 BindingDB Entry DOI: 10.7270/Q2PK0KPP
					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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at ER-alpha in human MCF-7:WS8 cells transfected with an estrogen response element assessed as suppression of estrogen-induced re...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01001 BindingDB Entry DOI: 10.7270/Q2RN3CGZ
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 349 total )  |  Next  |  Last  >>

Jump to: