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Patent code US9174940

Compile Data Set for Download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Thyrotropin receptor


(Homo sapiens (Human))		BDBM60862
PNG
(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)
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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))		BDBM189329
PNG
((+)-(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)
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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 subunit beta


(Bos taurus (Bovine))		BDBM60862
PNG
(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)
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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))		BDBM189327
PNG
(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)
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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
PNG
(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
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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))		BDBM60851
PNG
(US9174940, 18)
Show SMILES CC(=O)N1c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2C(C)(CC1(C)C)c1ccccc1
Show InChI InChI=1S/C29H31ClN2O2/c1-20(33)32-26-16-15-24(31-27(34)17-12-21-10-13-23(30)14-11-21)18-25(26)29(4,19-28(32,2)3)22-8-6-5-7-9-22/h5-11,13-16,18H,12,17,19H2,1-4H3,(H,31,34)
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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))		BDBM60867
PNG
(US9174940, 37)
Show SMILES CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2[C@](C)(CC1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C29H31ClN2O2/c1-20(33)32-26-15-14-24(31-27(34)16-13-21-9-8-12-23(30)17-21)18-25(26)29(4,19-28(32,2)3)22-10-6-5-7-11-22/h5-12,14-15,17-18H,13,16,19H2,1-4H3,(H,31,34)/t29-/m1/s1
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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
PNG
(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
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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))		BDBM60860
PNG
(US9174940, 31)
Show SMILES CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)O[C@H]3CC4CC[C@H]3C4)ccc12 |r|
Show InChI InChI=1S/C26H30N2O3/c1-17(29)28-13-12-26(2,20-6-4-3-5-7-20)22-16-21(10-11-23(22)28)27-25(30)31-24-15-18-8-9-19(24)14-18/h3-7,10-11,16,18-19,24H,8-9,12-15H2,1-2H3,(H,27,30)/t18?,19-,24-,26?/m0/s1
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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
PNG
(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)
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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))		BDBM60862
PNG
(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)
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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))		BDBM60869
PNG
(US9174940, 38)
Show SMILES CC(=O)N1c2ccc(NC(=O)CCc3cccc(c3)C(F)(F)F)cc2[C@](C)(CC1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C30H31F3N2O2/c1-20(36)35-26-15-14-24(34-27(37)16-13-21-9-8-12-23(17-21)30(31,32)33)18-25(26)29(4,19-28(35,2)3)22-10-6-5-7-11-22/h5-12,14-15,17-18H,13,16,19H2,1-4H3,(H,34,37)/t29-/m1/s1
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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))		BDBM60848
PNG
(US9174940, 11 | US9174940, 26)
Show SMILES CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C(C)(CC1(C)C)c1ccccc1
Show InChI InChI=1S/C29H31ClN2O2/c1-20(33)32-26-15-14-24(31-27(34)16-13-21-9-8-12-23(30)17-21)18-25(26)29(4,19-28(32,2)3)22-10-6-5-7-11-22/h5-12,14-15,17-18H,13,16,19H2,1-4H3,(H,31,34)
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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))		BDBM60850
PNG
(US9174940, 13)
Show SMILES CC(=O)N1c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C(C)(CC1(C)C)c1ccccc1
Show InChI InChI=1S/C28H30ClN3O2/c1-19(33)32-25-15-14-23(31-26(34)30-17-20-10-12-22(29)13-11-20)16-24(25)28(4,18-27(32,2)3)21-8-6-5-7-9-21/h5-16H,17-18H2,1-4H3,(H2,30,31,34)
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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))		BDBM60866
PNG
(US9174940, 36)
Show SMILES CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)NCc3cccc(Cl)c3)ccc12
Show InChI InChI=1S/C26H26ClN3O2/c1-18(31)30-14-13-26(2,20-8-4-3-5-9-20)23-16-22(11-12-24(23)30)29-25(32)28-17-19-7-6-10-21(27)15-19/h3-12,15-16H,13-14,17H2,1-2H3,(H2,28,29,32)
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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
PNG
(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)
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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
PNG
(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)
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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))		BDBM60848
PNG
(US9174940, 11 | US9174940, 26)
Show SMILES CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C(C)(CC1(C)C)c1ccccc1
Show InChI InChI=1S/C29H31ClN2O2/c1-20(33)32-26-15-14-24(31-27(34)16-13-21-9-8-12-23(30)17-21)18-25(26)29(4,19-28(32,2)3)22-10-6-5-7-11-22/h5-12,14-15,17-18H,13,16,19H2,1-4H3,(H,31,34)
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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))		BDBM60863
PNG
(US9174940, 33)
Show SMILES CC(=O)N1c2ccc(NC(=O)CCc3cccc(c3)C(F)(F)F)cc2C(C)(CC1(C)C)c1ccccc1
Show InChI InChI=1S/C30H31F3N2O2/c1-20(36)35-26-15-14-24(34-27(37)16-13-21-9-8-12-23(17-21)30(31,32)33)18-25(26)29(4,19-28(35,2)3)22-10-6-5-7-11-22/h5-12,14-15,17-18H,13,16,19H2,1-4H3,(H,34,37)
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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))		BDBM60855
PNG
(US9174940, 28)
Show SMILES CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3(C)CC3)ccc12
Show InChI InChI=1S/C24H28N2O3/c1-17(27)26-14-13-24(3,18-7-5-4-6-8-18)20-15-19(9-10-21(20)26)25-22(28)29-16-23(2)11-12-23/h4-10,15H,11-14,16H2,1-3H3,(H,25,28)
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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))		BDBM60853
PNG
(US9174940, 27)
Show SMILES CC(C)CCOC(=O)Nc1ccc2N(CCC(C)(c3ccccc3)c2c1)C(C)=O
Show InChI InChI=1S/C24H30N2O3/c1-17(2)12-15-29-23(28)25-20-10-11-22-21(16-20)24(4,13-14-26(22)18(3)27)19-8-6-5-7-9-19/h5-11,16-17H,12-15H2,1-4H3,(H,25,28)
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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))		BDBM60849
PNG
(US9174940, 12)
Show SMILES CC(=O)N1c2ccc(NC(=O)CCc3cccs3)cc2C(C)(CC1(C)C)c1ccccc1
Show InChI InChI=1S/C27H30N2O2S/c1-19(30)29-24-14-12-21(28-25(31)15-13-22-11-8-16-32-22)17-23(24)27(4,18-26(29,2)3)20-9-6-5-7-10-20/h5-12,14,16-17H,13,15,18H2,1-4H3,(H,28,31)
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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))		BDBM60843
PNG
(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)
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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))		BDBM60865
PNG
(US9174940, 35)
Show SMILES CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)c3ccc(Br)s3)ccc12
Show InChI InChI=1S/C23H21BrN2O2S/c1-15(27)26-13-12-23(2,16-6-4-3-5-7-16)18-14-17(8-9-19(18)26)25-22(28)20-10-11-21(24)29-20/h3-11,14H,12-13H2,1-2H3,(H,25,28)
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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))		BDBM60856
PNG
(US9174940, 29)
Show SMILES CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3CCC3)ccc12
Show InChI InChI=1S/C24H28N2O3/c1-17(27)26-14-13-24(2,19-9-4-3-5-10-19)21-15-20(11-12-22(21)26)25-23(28)29-16-18-7-6-8-18/h3-5,9-12,15,18H,6-8,13-14,16H2,1-2H3,(H,25,28)
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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))		BDBM60857
PNG
(US9174940, 30)
Show SMILES CC(C)[C@H](C)OC(=O)Nc1ccc2N(CCC(C)(c3ccccc3)c2c1)C(C)=O |r|
Show InChI InChI=1S/C24H30N2O3/c1-16(2)17(3)29-23(28)25-20-11-12-22-21(15-20)24(5,13-14-26(22)18(4)27)19-9-7-6-8-10-19/h6-12,15-17H,13-14H2,1-5H3,(H,25,28)/t17-,24?/m0/s1
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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))		BDBM60864
PNG
(US9174940, 34)
Show SMILES CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)Cc3ccc(F)c(Cl)c3)ccc12
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)
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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 subunit beta


(Bos taurus (Bovine))		BDBM189329
PNG
((+)-(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)
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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 subunit beta


(Bos taurus (Bovine))		BDBM189327
PNG
(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)
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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
* indicates data uncertainty>20%