Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50162035'   

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))	BDBM50162035 (1-(2,6-Difluoro-benzyl)-3-((S)-2-dimethylamino-2-p...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N(C)C)c2ccccc2)c1=O |wU:26.28,(2.94,6.11,;4.27,5.36,;4.27,3.82,;5.61,3.03,;5.61,1.49,;4.27,.74,;2.95,1.51,;2.94,3.05,;1.59,3.8,;1.59,.74,;1.59,-.8,;2.95,-1.57,;.28,-1.57,;.28,-3.09,;1.59,-3.86,;2.94,-3.09,;1.59,-2.32,;4.28,-3.86,;4.28,-5.4,;2.94,-6.17,;1.59,-5.4,;.26,-6.17,;-1.04,-.8,;-2.38,-1.57,;-1.04,.74,;-2.38,1.51,;-3.71,.74,;-3.71,-.8,;-3.73,-2.34,;-5.04,-1.57,;-5.06,1.51,;-6.37,.72,;-7.72,1.49,;-7.72,3.03,;-6.39,3.8,;-5.06,3.05,;.28,1.51,;.28,3.05,)| Show InChI InChI=1S/C29H28F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h5-15,24H,16-17H2,1-4H3/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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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