Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Thyrotropin subunit beta'   

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 subunit beta (Bos taurus (Bovine))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48	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 subunit beta (Bos taurus (Bovine))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	192	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 subunit beta (Bos taurus (Bovine))	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 GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	368	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