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

InChI Key: InChIKey=ISYCOCCYYPQGPS-MHZLTWQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272671   
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))		BDBM50272671
PNG
((R)-2-((3-(3-(1-(2-fluoro-6-(trifluoromethyl)benzy...)
Show SMILES CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCN(C)CC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(13.5,-50.05,;14.83,-49.28,;14.82,-47.74,;16.16,-46.97,;17.49,-47.73,;18.82,-46.95,;18.82,-45.41,;20.15,-47.73,;20.15,-49.27,;21.48,-50.04,;18.82,-50.03,;18.82,-51.57,;18.04,-52.9,;18.87,-54.19,;20.41,-54.11,;18.17,-55.56,;16.63,-55.64,;15.79,-54.34,;16.5,-52.97,;15.67,-51.68,;14.84,-50.37,;14.37,-52.5,;16.97,-50.85,;17.49,-49.27,;16.16,-50.04,;21.48,-46.97,;22.81,-47.75,;24.15,-46.98,;24.15,-45.44,;22.81,-44.67,;22.81,-43.13,;24.14,-42.36,;24.14,-40.82,;25.48,-40.05,;25.47,-38.51,;24.14,-37.74,;26.81,-37.73,;28.14,-38.5,;28.14,-40.05,;29.48,-37.74,;21.48,-45.44,;20.15,-44.67,;13.49,-46.97,;13.49,-45.44,;12.16,-44.67,;10.82,-45.44,;10.83,-46.99,;12.17,-47.75,)|
Show InChI InChI=1S/C34H35F5N4O5/c1-21-30(23-12-7-15-28(31(23)36)48-17-9-16-41(3)20-29(44)45)32(46)43(19-27(40-2)22-10-5-4-6-11-22)33(47)42(21)18-24-25(34(37,38)39)13-8-14-26(24)35/h4-8,10-15,27,40H,9,16-20H2,1-3H3,(H,44,45)/t27-/m0/s1
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Similars
Article
PubMed
 35n/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