Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM160323'   

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))	BDBM160323 (US9040693, 31) Show SMILES CNC(=O)c1scc2[nH]c(=O)n(-c3cc(ccc3Cl)S(=O)(=O)N3CCCc4ccccc34)c(=O)c12 |(-8.94,-.44,;-8.17,-1.78,;-6.63,-1.78,;-5.86,-3.11,;-5.86,-.44,;-6.77,.8,;-5.86,2.05,;-4.4,1.57,;-3.06,2.34,;-1.73,1.57,;-.39,2.34,;-1.73,.03,;-.39,-.74,;.94,.03,;2.27,-.74,;2.27,-2.28,;.94,-3.05,;-.39,-2.28,;-1.73,-3.05,;3.61,.03,;2.84,1.37,;4.38,-1.3,;4.94,.8,;4.94,2.34,;6.27,3.11,;7.61,2.34,;7.61,.8,;8.94,.03,;8.94,-1.51,;7.61,-2.28,;6.27,-1.51,;6.27,.03,;-3.06,-.74,;-3.06,-2.28,;-4.4,.03,)| Show InChI InChI=1S/C23H19ClN4O5S2/c1-25-21(29)20-19-16(12-34-20)26-23(31)28(22(19)30)18-11-14(8-9-15(18)24)35(32,33)27-10-4-6-13-5-2-3-7-17(13)27/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,25,29)(H,26,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	272	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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