Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50162021'   

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))	BDBM50162021 (3-((S)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-ben...) Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@@H](N)c2ccccc2)c1=O |wU:26.28,(2.69,6.02,;4.03,5.23,;4.03,3.71,;5.37,2.92,;5.37,1.39,;4.03,.62,;2.69,1.39,;2.69,2.92,;1.36,3.71,;1.36,.62,;1.36,-.9,;2.69,-1.69,;.03,-1.68,;.03,-3.21,;1.36,-3.98,;2.69,-3.21,;1.34,-2.43,;4.03,-3.98,;4.03,-5.52,;2.69,-6.29,;1.36,-5.52,;.02,-6.29,;-1.28,-.9,;-2.63,-1.69,;-1.28,.62,;-2.63,1.39,;-3.96,.62,;-3.96,-.93,;-5.32,1.39,;-5.32,2.92,;-6.65,3.71,;-7.98,2.92,;-7.98,1.37,;-6.63,.62,;.03,1.42,;.03,2.96,)| Show InChI InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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