Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50162039'   

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))	BDBM50162039 (3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-fluoro-phenyl)...) Show SMILES Cc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |wD:23.25,(1.26,-6,;-.09,-5.25,;-1.4,-6.02,;-2.75,-5.25,;-2.75,-3.71,;-1.42,-2.94,;-.09,-3.72,;1.24,-2.95,;1.24,-1.41,;2.57,-.65,;3.92,-1.42,;2.57,.89,;3.92,1.67,;5.23,.88,;6.56,1.65,;6.56,3.19,;5.23,3.94,;3.9,3.19,;2.57,3.96,;1.24,1.67,;1.24,3.21,;-.09,.89,;-1.42,1.67,;-2.75,.88,;-2.75,-.66,;-4.08,1.65,;-5.41,.88,;-6.74,1.63,;-6.74,3.19,;-5.41,3.96,;-4.08,3.19,;-.09,-.65,;-1.42,-1.42,)| Show InChI InChI=1S/C27H26FN3O2/c1-18-10-6-7-13-21(18)16-30-19(2)25(22-14-8-9-15-23(22)28)26(32)31(27(30)33)17-24(29)20-11-4-3-5-12-20/h3-15,24H,16-17,29H2,1-2H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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
					More data for this Ligand-Target Pair