Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'fletterick' and Initial = 'rj'   

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
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM239191 (US10053433, FC 3.077) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-11(18)3-5-12)15(25)24-14-6-13(17(19,20)21)10(7-22)8-23-14/h2-6,8,26H,9H2,1H3,(H,23,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM242618 (US10053433, FC 4.025) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	580	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM242588 (US10053433, FC 4.039) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H17ClF4N2O5S/c1-18(29,10-32(30,31)13-5-2-11(21)3-6-13)17(28)25-12-4-7-15(26-16(27)9-20)14(8-12)19(22,23)24/h2-8,29H,9-10H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM238895 (US10053433, Casodex (CDX) | US10053433, FC 4.037 (...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-10(18)3-5-12)15(25)24-11-6-13(17(19,20)21)14(7-22)23-8-11/h2-6,8,26H,9H2,1H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Glutamate receptor 2 (Homo sapiens (Human))	BDBM50253632 (6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione |...) Show SMILES [O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1[N-][N+]#N Show InChI InChI=1S/C8H4N6O4/c9-13-12-5-1-3-4(2-6(5)14(17)18)11-8(16)7(15)10-3/h1-2H,(H,10,15)(H,11,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of GluR2 receptor (unknown origin)				J Med Chem 51: 5856-60 (2008) Article DOI: 10.1021/jm701517b BindingDB Entry DOI: 10.7270/Q2W095R1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM242618 (US10053433, FC 4.025) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F4NO8S3/c1-4-36(30,31)19(37(32,33)5-2)17-11-8-15(12-18(17)22(24,25)26)27-20(28)21(3,29)13-38(34,35)16-9-6-14(23)7-10-16/h4-12,19,29H,1-2,13H2,3H3,(H,27,28)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18825 (1-(4-hexylphenyl)prop-2-en-1-one | Enone, 1) Show SMILES CCCCCCc1ccc(cc1)C(=O)C=C Show InChI InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18814 (1-(4-hexylphenyl)-3-[methyl(2-phenylethyl)amino]pr...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)CCc1ccccc1 Show InChI InChI=1S/C24H33NO/c1-3-4-5-7-12-22-13-15-23(16-14-22)24(26)18-20-25(2)19-17-21-10-8-6-9-11-21/h6,8-11,13-16H,3-5,7,12,17-20H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM239363 (US10053433, FC 4.126) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18815 (1-(4-hexylphenyl)-3-[(2-hydroxyethyl)(methyl)amino...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)CCO Show InChI InChI=1S/C18H29NO2/c1-3-4-5-6-7-16-8-10-17(11-9-16)18(21)12-13-19(2)14-15-20/h8-11,20H,3-7,12-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank US Patent	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18816 (3-[bis(propan-2-yl)amino]-1-(4-hexylphenyl)propan-...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C(C)C)C(C)C Show InChI InChI=1S/C21H35NO/c1-6-7-8-9-10-19-11-13-20(14-12-19)21(23)15-16-22(17(2)3)18(4)5/h11-14,17-18H,6-10,15-16H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM239316 (US10053433, FC 4.116) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cncc(c1)C(F)(F)F |r| Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)13-4-2-11(17)3-5-13)14(23)22-12-6-10(7-21-8-12)16(18,19)20/h2-8,24H,9H2,1H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.53E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18817 (1-(4-hexylphenyl)-3-(pyrrolidin-1-yl)propan-1-one ...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCCC1 Show InChI InChI=1S/C19H29NO/c1-2-3-4-5-8-17-9-11-18(12-10-17)19(21)13-16-20-14-6-7-15-20/h9-12H,2-8,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18818 (1-(4-hexylphenyl)-3-(morpholin-4-yl)propan-1-one |...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCOCC1 Show InChI InChI=1S/C19H29NO2/c1-2-3-4-5-6-17-7-9-18(10-8-17)19(21)11-12-20-13-15-22-16-14-20/h7-10H,2-6,11-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18815 (1-(4-hexylphenyl)-3-[(2-hydroxyethyl)(methyl)amino...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)CCO Show InChI InChI=1S/C18H29NO2/c1-3-4-5-6-7-16-8-10-17(11-9-16)18(21)12-13-19(2)14-15-20/h8-11,20H,3-7,12-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18857 (3-bromo-1-(4-hexylphenyl)propan-1-one | beta-bromo...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCBr Show InChI InChI=1S/C15H21BrO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16/h7-10H,2-6,11-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50094975 (956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50094975 (956104-40-8 | ARN-509 | JNJ-56021927 | US10053433,...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18814 (1-(4-hexylphenyl)-3-[methyl(2-phenylethyl)amino]pr...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)CCc1ccccc1 Show InChI InChI=1S/C24H33NO/c1-3-4-5-7-12-22-13-15-23(16-14-22)24(26)18-20-25(2)19-17-21-10-8-6-9-11-21/h6,8-11,13-16H,3-5,7,12,17-20H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18819 (beta-Aminophenylketone, 3f | methyl 1-[3-(4-hexylp...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCC(CC1)C(=O)OC Show InChI InChI=1S/C22H33NO3/c1-3-4-5-6-7-18-8-10-19(11-9-18)21(24)14-17-23-15-12-20(13-16-23)22(25)26-2/h8-11,20H,3-7,12-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18816 (3-[bis(propan-2-yl)amino]-1-(4-hexylphenyl)propan-...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C(C)C)C(C)C Show InChI InChI=1S/C21H35NO/c1-6-7-8-9-10-19-11-13-20(14-12-19)21(23)15-16-22(17(2)3)18(4)5/h11-14,17-18H,6-10,15-16H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18818 (1-(4-hexylphenyl)-3-(morpholin-4-yl)propan-1-one |...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCOCC1 Show InChI InChI=1S/C19H29NO2/c1-2-3-4-5-6-17-7-9-18(10-8-17)19(21)11-12-20-13-15-22-16-14-20/h7-10H,2-6,11-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18820 (3-(dibutylamino)-1-(4-hexylphenyl)propan-1-one | b...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(CCCC)CCCC Show InChI InChI=1S/C23H39NO/c1-4-7-10-11-12-21-13-15-22(16-14-21)23(25)17-20-24(18-8-5-2)19-9-6-3/h13-16H,4-12,17-20H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18857 (3-bromo-1-(4-hexylphenyl)propan-1-one | beta-bromo...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCBr Show InChI InChI=1S/C15H21BrO/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16/h7-10H,2-6,11-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18817 (1-(4-hexylphenyl)-3-(pyrrolidin-1-yl)propan-1-one ...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCCC1 Show InChI InChI=1S/C19H29NO/c1-2-3-4-5-8-17-9-11-18(12-10-17)19(21)13-16-20-14-6-7-15-20/h9-12H,2-8,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18821 (3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one | ...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)C Show InChI InChI=1S/C17H27NO/c1-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(2)3/h9-12H,4-8,13-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18854 (4-hexylphenyl prop-2-ynoate | Propiolic acid deriv...) Show SMILES CCCCCCc1ccc(OC(=O)C#C)cc1 Show InChI InChI=1S/C15H18O2/c1-3-5-6-7-8-13-9-11-14(12-10-13)17-15(16)4-2/h2,9-12H,3,5-8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18819 (beta-Aminophenylketone, 3f | methyl 1-[3-(4-hexylp...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN1CCC(CC1)C(=O)OC Show InChI InChI=1S/C22H33NO3/c1-3-4-5-6-7-18-8-10-19(11-9-18)21(24)14-17-23-15-12-20(13-16-23)22(25)26-2/h8-11,20H,3-7,12-17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18820 (3-(dibutylamino)-1-(4-hexylphenyl)propan-1-one | b...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(CCCC)CCCC Show InChI InChI=1S/C23H39NO/c1-4-7-10-11-12-21-13-15-22(16-14-21)23(25)17-20-24(18-8-5-2)19-9-6-3/h13-16H,4-12,17-20H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM242578 (US10053433, FC 4.127) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)[N+]([O-])=O)C(F)(F)F |r| Show InChI InChI=1S/C16H13F4N3O6S/c1-15(25,8-30(28,29)10-4-2-9(17)3-5-10)14(24)22-13-6-11(16(18,19)20)12(7-21-13)23(26)27/h2-7,25H,8H2,1H3,(H,21,22,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.26E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist h...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18827 ((2E)-1-(4-heptylphenyl)but-2-en-1-one | Enone, 4b) Show SMILES CCCCCCCc1ccc(cc1)C(=O)C=CC |w:16.17| Show InChI InChI=1S/C17H24O/c1-3-5-6-7-8-10-15-11-13-16(14-12-15)17(18)9-4-2/h4,9,11-14H,3,5-8,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Glutamate receptor 2 (Homo sapiens (Human))	BDBM50253650 (CHEMBL462490 | [1,2,5]oxadiazolo[3,4-g]quinoxaline...) Show SMILES [O-][n+]1onc2cc3[nH]c(=O)c(=O)[nH]c3cc12 Show InChI InChI=1S/C8H4N4O4/c13-7-8(14)10-4-2-6-5(1-3(4)9-7)11-16-12(6)15/h1-2H,(H,9,13)(H,10,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of GluR2 receptor (unknown origin)				J Med Chem 51: 5856-60 (2008) Article DOI: 10.1021/jm701517b BindingDB Entry DOI: 10.7270/Q2W095R1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18843 (Substituted Acrylate, 6k | hexyl 2-(prop-2-enoylox...) Show SMILES CCCCCCOC(=O)c1ccccc1OC(=O)C=C Show InChI InChI=1S/C16H20O4/c1-3-5-6-9-12-19-16(18)13-10-7-8-11-14(13)20-15(17)4-2/h4,7-8,10-11H,2-3,5-6,9,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank US Patent	n/a	n/a	8.61E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM242578 (US10053433, FC 4.127) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)[N+]([O-])=O)C(F)(F)F |r| Show InChI InChI=1S/C16H13F4N3O6S/c1-15(25,8-30(28,29)10-4-2-9(17)3-5-10)14(24)22-13-6-11(16(18,19)20)12(7-21-13)23(26)27/h2-7,25H,8H2,1H3,(H,21,22,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.74E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18838 (4-heptylphenyl prop-2-enoate | Substituted Acrylat...) Show SMILES CCCCCCCc1ccc(OC(=O)C=C)cc1 Show InChI InChI=1S/C16H22O2/c1-3-5-6-7-8-9-14-10-12-15(13-11-14)18-16(17)4-2/h4,10-13H,2-3,5-9H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18821 (3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one | ...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)C Show InChI InChI=1S/C17H27NO/c1-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(2)3/h9-12H,4-8,13-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18839 (4-octylphenyl prop-2-enoate | Substituted Acrylate...) Show SMILES CCCCCCCCc1ccc(OC(=O)C=C)cc1 Show InChI InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-15-11-13-16(14-12-15)19-17(18)4-2/h4,11-14H,2-3,5-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18822 (3-[(furan-2-ylmethyl)(methyl)amino]-1-(4-hexylphen...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C)Cc1ccco1 Show InChI InChI=1S/C21H29NO2/c1-3-4-5-6-8-18-10-12-19(13-11-18)21(23)14-15-22(2)17-20-9-7-16-24-20/h7,9-13,16H,3-6,8,14-15,17H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM239363 (US10053433, FC 4.126) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	7.5	n/a
The Regents of the University of California US Patent					Assay Description An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antago...				US Patent US10053433 (2018) BindingDB Entry DOI: 10.7270/Q2R78H77
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18823 (3-(dicyclohexylamino)-1-(4-hexylphenyl)propan-1-on...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C27H43NO/c1-2-3-4-7-12-23-17-19-24(20-18-23)27(29)21-22-28(25-13-8-5-9-14-25)26-15-10-6-11-16-26/h17-20,25-26H,2-16,21-22H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18824 (1-(4-hexylphenyl)-3-(propylamino)propan-1-one | be...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCNCCC Show InChI InChI=1S/C18H29NO/c1-3-5-6-7-8-16-9-11-17(12-10-16)18(20)13-15-19-14-4-2/h9-12,19H,3-8,13-15H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18823 (3-(dicyclohexylamino)-1-(4-hexylphenyl)propan-1-on...) Show SMILES CCCCCCc1ccc(cc1)C(=O)CCN(C1CCCCC1)C1CCCCC1 Show InChI InChI=1S/C27H43NO/c1-2-3-4-7-12-23-17-19-24(20-18-23)27(29)21-22-28(25-13-8-5-9-14-25)26-15-10-6-11-16-26/h17-20,25-26H,2-16,21-22H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	7.2	22
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18854 (4-hexylphenyl prop-2-ynoate | Propiolic acid deriv...) Show SMILES CCCCCCc1ccc(OC(=O)C#C)cc1 Show InChI InChI=1S/C15H18O2/c1-3-5-6-7-8-13-9-11-14(12-10-13)17-15(16)4-2/h2,9-12H,3,5-8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha [148-410] (Homo sapiens (Human))	BDBM18847 ((2Z)-3-[(4-hexylphenyl)carbamoyl]prop-2-enoic acid...) Show SMILES CCCCCCc1ccc(NC(=O)\C=C/C(O)=O)cc1 Show InChI InChI=1S/C16H21NO3/c1-2-3-4-5-6-13-7-9-14(10-8-13)17-15(18)11-12-16(19)20/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)/b12-11-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta [209-461] (Homo sapiens (Human))	BDBM18826 ((2E)-4-(4-hexylphenyl)-4-oxobut-2-enoic acid | Eno...) Show SMILES CCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O Show InChI InChI=1S/C16H20O3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16(18)19/h7-12H,2-6H2,1H3,(H,18,19)/b12-11+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...				J Med Chem 50: 5269-5280 (2007) Article DOI: 10.1021/jm070556y BindingDB Entry DOI: 10.7270/Q24B2ZK8
					More data for this Ligand-Target Pair

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