null

SMILES: CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCNCC(O)=O)c1F)c1ccccc1

InChI Key: InChIKey=QTQHJYKPJJNULY-VWLOTQADSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272668   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50272668 ((R)-2-(2-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl...) Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCNCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(12.22,-28.79,;13.55,-28.02,;13.55,-26.48,;14.88,-25.7,;16.22,-26.47,;17.55,-25.69,;17.55,-24.15,;18.87,-26.47,;18.87,-28.01,;20.21,-28.78,;17.55,-28.77,;17.55,-30.31,;16.76,-31.64,;17.59,-32.92,;19.13,-32.84,;16.9,-34.29,;15.35,-34.37,;14.52,-33.08,;15.22,-31.71,;14.39,-30.41,;13.57,-29.11,;13.09,-31.24,;15.69,-29.59,;16.22,-28.01,;14.88,-28.78,;20.2,-25.71,;21.54,-26.48,;22.87,-25.72,;22.88,-24.18,;21.54,-23.4,;21.53,-21.86,;22.87,-21.09,;22.87,-19.55,;24.2,-18.78,;24.2,-17.24,;25.53,-16.47,;26.87,-17.24,;25.54,-14.93,;20.21,-24.17,;18.87,-23.4,;12.21,-25.71,;12.22,-24.17,;10.88,-23.41,;9.55,-24.18,;9.56,-25.73,;10.89,-26.49,)| Show InChI InChI=1S/C32H31F5N4O5/c1-19-28(21-10-6-13-26(29(21)34)46-15-14-39-16-27(42)43)30(44)41(18-25(38-2)20-8-4-3-5-9-20)31(45)40(19)17-22-23(32(35,36)37)11-7-12-24(22)33/h3-13,25,38-39H,14-18H2,1-2H3,(H,42,43)/t25-/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 Displacement of [125I]tyr5,D-Leu6,NMeLeu7-GnRH from human cloned GnRH receptor expressed in RBL cells				Bioorg Med Chem Lett 18: 4503-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.059 BindingDB Entry DOI: 10.7270/Q2QR4WZJ
					More data for this Ligand-Target Pair