Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with Target = 'Thyrotropin receptor'   

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
Thyrotropin receptor (Rattus norvegicus)	BDBM50614104 (CHEMBL5283477) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614117 (CHEMBL5275472) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614128 (CHEMBL5281228) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM60862 (BDBM189328 | US9174940, 32) Show SMILES CC(=O)N1CCC(C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1 |c:21,t:9| Show InChI InChI=1S/C24H30N2O3/c1-17(27)26-15-14-24(2,18-8-4-3-5-9-18)21-16-19(12-13-22(21)26)25-23(28)29-20-10-6-7-11-20/h3-5,8-9,12-13,16,20-22H,6-7,10-11,14-15H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614109 (CHEMBL5285685) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614110 (CHEMBL5270266) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614106 (CHEMBL5275619) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614107 (CHEMBL5288869) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614108 (CHEMBL5290721) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614117 (CHEMBL5275472) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614125 (CHEMBL5270771) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614111 (CHEMBL5279687) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614127 (CHEMBL5267043) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614105 (CHEMBL5287707) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614120 (CHEMBL5267166) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614116 (CHEMBL5285143) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614120 (CHEMBL5267166) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614107 (CHEMBL5288869) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614110 (CHEMBL5270266) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM189329 ((+)-(1-Acetyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro...) Show SMILES CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCc3ccc(F)c(Cl)c3)ccc12 Show InChI InChI=1S/C26H24ClFN2O3/c1-17(31)30-13-12-26(2,19-6-4-3-5-7-19)21-15-20(9-11-24(21)30)29-25(32)33-16-18-8-10-23(28)22(27)14-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614123 (CHEMBL5286556) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614123 (CHEMBL5286556) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614127 (CHEMBL5267043) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614108 (CHEMBL5290721) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614106 (CHEMBL5275619) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614125 (CHEMBL5270771) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614109 (CHEMBL5285685) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614108 (CHEMBL5290721) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614104 (CHEMBL5283477) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614119 (CHEMBL5271120) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614108 (CHEMBL5290721) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614119 (CHEMBL5271120) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614111 (CHEMBL5279687) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614118 (CHEMBL5288635) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614121 (CHEMBL5280508) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614115 (CHEMBL5285769) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614116 (CHEMBL5285143) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614112 (CHEMBL5267037) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614105 (CHEMBL5287707) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614126 (CHEMBL5268829) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM189327 (Hexanoic acid (Compound A) | US9174940, Compound A) Show SMILES CC(=O)N1c2ccc(cc2C(C)(CC1(C)C)c1ccccc1)C(N)=O Show InChI InChI=1S/C21H24N2O2/c1-14(24)23-18-11-10-15(19(22)25)12-17(18)21(4,13-20(23,2)3)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
					More data for this Ligand-Target Pair
Thyrotropin receptor (Rattus norvegicus)	BDBM50614122 (CHEMBL5273361) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM50614114 (CHEMBL5268512) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Rattus norvegicus)	BDBM50614113 (CHEMBL5275140) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem		n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
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Thyrotropin receptor (Homo sapiens (Human))	BDBM60843 (US9174940, 1) Show SMILES CCCCCC(=O)Nc1ccc2N(C(C)=O)C(C)(C)CC(C)(c3ccccc3)c2c1 Show InChI InChI=1S/C26H34N2O2/c1-6-7-9-14-24(30)27-21-15-16-23-22(17-21)26(5,20-12-10-8-11-13-20)18-25(3,4)28(23)19(2)29/h8,10-13,15-17H,6-7,9,14,18H2,1-5H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
					More data for this Ligand-Target Pair
Thyrotropin receptor (Homo sapiens (Human))	BDBM60844 (US9174940, 4) Show SMILES CC(=O)N1c2ccc(NC(=O)c3ccccn3)cc2C(C)(CC1(C)C)c1ccccc1 Show InChI InChI=1S/C26H27N3O2/c1-18(30)29-23-14-13-20(28-24(31)22-12-8-9-15-27-22)16-21(23)26(4,17-25(29,2)3)19-10-6-5-7-11-19/h5-16H,17H2,1-4H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
					More data for this Ligand-Target Pair
Thyrotropin receptor (Homo sapiens (Human))	BDBM60872 (US9174940, 40) Show SMILES CC(=O)N1CC[C@](C)(c2ccccc2)c2cc(NC(=O)Cc3ccc(F)c(Cl)c3)ccc12 |r| Show InChI InChI=1S/C26H24ClFN2O2/c1-17(31)30-13-12-26(2,19-6-4-3-5-7-19)21-16-20(9-11-24(21)30)29-25(32)15-18-8-10-23(28)22(27)14-18/h3-11,14,16H,12-13,15H2,1-2H3,(H,29,32)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
					More data for this Ligand-Target Pair
Thyrotropin receptor (Homo sapiens (Human))	BDBM60870 (US9174940, 39) Show SMILES CC(=O)N1CC[C@@](C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1 |r,c:21,t:9| Show InChI InChI=1S/C24H30N2O3/c1-17(27)26-15-14-24(2,18-8-4-3-5-9-18)21-16-19(12-13-22(21)26)25-23(28)29-20-10-6-7-11-20/h3-5,8-9,12-13,16,20-22H,6-7,10-11,14-15H2,1-2H3,(H,25,28)/t21?,22?,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
					More data for this Ligand-Target Pair
Thyrotropin receptor (Homo sapiens (Human))	BDBM60845 (US9174940, 6) Show SMILES CC(=O)N1c2ccc(NC(=O)OCCOc3ccccc3)cc2C(C)(CC1(C)C)c1ccccc1 Show InChI InChI=1S/C29H32N2O4/c1-21(32)31-26-16-15-23(30-27(33)35-18-17-34-24-13-9-6-10-14-24)19-25(26)29(4,20-28(31,2)3)22-11-7-5-8-12-22/h5-16,19H,17-18,20H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
					More data for this Ligand-Target Pair
Thyrotropin receptor (Homo sapiens (Human))	BDBM60847 (US9174940, 7) Show SMILES CCCCOC(=O)Nc1ccc2N(C(C)=O)C(C)(C)CC(C)(c3ccccc3)c2c1 Show InChI InChI=1S/C25H32N2O3/c1-6-7-15-30-23(29)26-20-13-14-22-21(16-20)25(5,19-11-9-8-10-12-19)17-24(3,4)27(22)18(2)28/h8-14,16H,6-7,15,17H2,1-5H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme B.V. US Patent					Assay Description Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...				US Patent US9174940 (2015) BindingDB Entry DOI: 10.7270/Q2F18XJC
					More data for this Ligand-Target Pair

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