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

InChI Key: InChIKey=GXTUXLBDSIZUPL-QHCPKHFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272664   
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))
BDBM50272664
PNG
((R)-3-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES Cc1c(-c2cccc(OCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:20.21,(1.09,-6.13,;-.24,-5.36,;-.24,-3.82,;1.09,-3.06,;2.42,-3.83,;3.75,-3.07,;3.76,-1.53,;2.42,-.75,;2.42,.79,;3.75,1.56,;3.75,3.1,;5.08,3.87,;6.42,3.1,;5.09,5.41,;1.09,-1.52,;-.25,-.75,;-1.57,-3.04,;-1.57,-1.5,;-2.9,-3.82,;-4.24,-3.05,;-5.57,-3.83,;-5.56,-5.37,;-6.9,-3.06,;-6.9,-1.52,;-8.24,-.76,;-9.57,-1.53,;-9.56,-3.08,;-8.22,-3.84,;-2.9,-5.36,;-4.23,-6.13,;-1.57,-6.12,;-1.57,-7.66,;-2.36,-8.99,;-1.52,-10.27,;.01,-10.19,;-2.22,-11.64,;-3.77,-11.72,;-4.6,-10.43,;-3.9,-9.06,;-4.73,-7.76,;-5.55,-6.46,;-6.03,-8.59,;-3.43,-6.94,)|
Show InChI InChI=1S/C30H26F5N3O5/c1-17-26(19-9-5-12-24(27(19)32)43-14-13-25(39)40)28(41)38(16-23(36)18-7-3-2-4-8-18)29(42)37(17)15-20-21(30(33,34)35)10-6-11-22(20)31/h2-12,23H,13-16,36H2,1H3,(H,39,40)/t23-/m0/s1
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Similars

Article
PubMed
10.1n/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