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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50168698   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50168698
PNG
(1-[2-Amino-2-(2-fluoro-phenyl)-ethyl]-3-(2,6-diflu...)
Show SMILES COc1cccc(c1F)-n1c(=O)n(CC(N)c2ccccc2F)c(=O)n(Cc2c(F)cccc2F)c1=O |(8.06,2.56,;6.73,1.79,;6.73,.25,;8.07,-.52,;8.07,-2.08,;6.73,-2.85,;5.4,-2.08,;5.4,-.54,;4.07,.23,;4.07,-2.85,;2.74,-2.08,;2.74,-.54,;1.4,-2.85,;.07,-2.08,;-1.28,-2.83,;-1.28,-4.37,;-2.61,-2.06,;-3.92,-2.85,;-5.25,-2.08,;-5.27,-.54,;-3.92,.23,;-2.59,-.54,;-1.25,.23,;1.4,-4.39,;.07,-5.16,;2.74,-5.16,;2.73,-6.7,;4.07,-7.47,;5.39,-6.7,;4.04,-5.93,;6.72,-7.45,;6.73,-9.01,;5.39,-9.78,;4.06,-9.01,;2.71,-9.76,;4.07,-4.39,;5.4,-5.16,)|
Show InChI InChI=1S/C25H20F4N4O4/c1-37-21-11-5-10-20(22(21)29)33-24(35)31(12-15-17(27)8-4-9-18(15)28)23(34)32(25(33)36)13-19(30)14-6-2-3-7-16(14)26/h2-11,19H,12-13,30H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HE...


Bioorg Med Chem Lett 15: 3685-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.038
BindingDB Entry DOI: 10.7270/Q2DZ07TN
More data for this
Ligand-Target Pair