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SMILES: N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O)c1ccccc1

InChI Key: InChIKey=XWRQGTUAMXHIDQ-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160236   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50160236
PNG
(1-((R)-2-Amino-2-phenyl-ethyl)-3-(2,6-difluoro-ben...)
Show SMILES N[C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O)c1ccccc1 |wD:1.0,(-2.88,-.17,;-2.88,1.33,;-1.56,2.1,;-.25,1.33,;-.25,-.22,;-1.58,-.98,;1.21,-1.02,;1.21,-3.98,;-.13,-4.74,;-.13,-6.31,;1.21,-7.07,;-1.47,-7.07,;-2.81,-6.31,;-2.81,-4.76,;-1.47,-3.98,;-1.49,-2.45,;2.41,-.22,;3.75,-.97,;2.41,1.33,;3.77,2.12,;3.77,3.65,;2.43,4.4,;5.08,4.42,;6.45,3.64,;6.42,2.09,;5.08,1.33,;5.08,-.19,;1.09,2.12,;1.09,3.66,;-4.19,2.09,;-5.51,1.33,;-6.82,2.07,;-6.85,3.62,;-5.51,4.38,;-4.19,3.62,)|
Show InChI InChI=1S/C24H18F4N4O3/c25-16-8-4-9-17(26)15(16)12-30-22(33)31(13-20(29)14-6-2-1-3-7-14)24(35)32(23(30)34)21-18(27)10-5-11-19(21)28/h1-11,20H,12-13,29H2/t20-/m0/s1
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Article
PubMed
 2.20E+5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined

Bioorg Med Chem Lett 15: 693-8 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.026
BindingDB Entry DOI: 10.7270/Q2DB81BQ
More data for this
Ligand-Target Pair