Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50162012'   

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))	BDBM50162012 (1-(2,6-Difluoro-benzyl)-3-((R)-2-dimethylamino-3-m...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](C(C)C)N(C)C)c1=O |wD:26.31,(2.31,6.35,;3.65,5.59,;3.65,4.05,;4.98,3.26,;4.98,1.72,;3.65,.97,;2.32,1.74,;2.31,3.28,;.99,4.04,;.99,.97,;.99,-.57,;2.32,-1.34,;-.34,-1.34,;-.34,-2.85,;.99,-3.62,;2.31,-2.85,;.96,-2.08,;3.65,-3.62,;3.65,-5.16,;2.31,-5.93,;.99,-5.16,;-.37,-5.93,;-1.67,-.57,;-3,-1.34,;-1.67,.97,;-3.03,1.74,;-4.36,.97,;-5.69,1.72,;-7.02,.95,;-5.69,3.26,;-4.33,-.57,;-4.36,-2.11,;-5.66,-1.34,;-.34,1.75,;-.34,3.29,)| Show InChI InChI=1S/C26H30F3N3O3/c1-15(2)21(30(4)5)14-32-25(33)23(17-9-7-12-22(35-6)24(17)29)16(3)31(26(32)34)13-18-19(27)10-8-11-20(18)28/h7-12,15,21H,13-14H2,1-6H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity for Human gonadotropin-releasing hormone receptor				J Med Chem 48: 1169-78 (2005) Article DOI: 10.1021/jm049218c BindingDB Entry DOI: 10.7270/Q2MK6CD8
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