Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM160327'   

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
Gonadotropin-releasing hormone receptor (Homo sapiens (Human))	BDBM160327 (US9040693, 191) Show SMILES COc1ccc(F)cc1C(C)(C)Sc1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O |(5.72,-3.46,;7.06,-2.69,;7.06,-1.15,;8.39,-.38,;8.39,1.16,;7.06,1.93,;7.06,3.47,;5.72,1.16,;5.72,-.38,;4.39,-1.15,;4.39,-2.69,;3.62,.18,;3.06,-.38,;1.72,-1.15,;1.72,-2.69,;.39,-3.46,;-.94,-2.69,;-2.28,-3.46,;-.94,-1.15,;.39,-.38,;-2.28,-.38,;-2.28,1.16,;-.94,1.93,;-3.61,1.93,;-4.94,1.16,;-6.41,1.63,;-7.31,.39,;-6.41,-.86,;-6.89,-2.32,;-8.39,-2.64,;-5.85,-3.47,;-4.94,-.38,;-3.61,-1.15,;-3.61,-2.69,)| Show InChI InChI=1S/C23H18F2N2O5S2/c1-23(2,13-8-11(24)4-7-17(13)32-3)34-12-5-6-14(25)16(9-12)27-20(28)18-15(26-22(27)31)10-33-19(18)21(29)30/h4-10H,1-3H3,(H,26,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	37
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medi...				US Patent US9040693 (2015) BindingDB Entry DOI: 10.7270/Q21R6P8N
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