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SMILES: Cc1c(-c2cccc(OCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F

InChI Key: InChIKey=QLIJLFMWYCAAFM-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272665   
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))		BDBM50272665
PNG
((R)-2-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES Cc1c(-c2cccc(OCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:19.20,(20.6,-4.91,;19.26,-4.14,;19.26,-2.6,;20.59,-1.84,;21.92,-2.61,;23.26,-1.85,;23.27,-.31,;21.92,.47,;21.92,2.01,;23.26,2.78,;23.26,4.32,;24.59,5.1,;21.92,5.09,;20.59,-.3,;19.26,.47,;17.93,-1.82,;17.93,-.28,;16.61,-2.6,;15.27,-1.83,;13.94,-2.61,;13.94,-4.15,;12.6,-1.84,;12.61,-.3,;11.27,.46,;9.94,-.31,;9.95,-1.86,;11.28,-2.62,;16.61,-4.14,;15.27,-4.91,;17.93,-4.9,;17.93,-6.44,;17.15,-7.77,;17.98,-9.05,;19.52,-8.97,;17.29,-10.42,;15.74,-10.5,;14.91,-9.21,;15.61,-7.84,;14.78,-6.54,;13.96,-5.24,;13.48,-7.37,;16.08,-5.72,)|
Show InChI InChI=1S/C29H24F5N3O5/c1-16-25(18-9-5-12-23(26(18)31)42-15-24(38)39)27(40)37(14-22(35)17-7-3-2-4-8-17)28(41)36(16)13-19-20(29(32,33)34)10-6-11-21(19)30/h2-12,22H,13-15,35H2,1H3,(H,38,39)/t22-/m0/s1
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Article
PubMed
 52n/an/an/an/an/an/an/an/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