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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50168699'   
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))
BDBM50168699
PNG
(1-[3-Amino-3-(2-chloro-phenyl)-propyl]-3-(2,6-difl...)
Show SMILES COc1cccc(c1)-n1c(=O)n(CCC(N)c2ccccc2Cl)c(=O)n(Cc2c(F)cccc2F)c1=O
Show InChI InChI=1S/C26H23ClF2N4O4/c1-37-17-7-4-6-16(14-17)33-25(35)31(13-12-23(30)18-8-2-3-9-20(18)27)24(34)32(26(33)36)15-19-21(28)10-5-11-22(19)29/h2-11,14,23H,12-13,15,30H2,1H3
PDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
180n/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