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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 = 'BDBM50109254'   
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))
BDBM50109254
PNG
(1-(2-Fluoro-benzyl)-7-(4-methoxy-phenyl)-6-{[methy...)
Show SMILES CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C36H39FN4O4/c1-5-28(6-2)45-36(43)31-23-40(22-26-11-7-8-13-32(26)37)34-21-30(25-14-16-29(44-4)17-15-25)33(41(34)35(31)42)24-39(3)20-18-27-12-9-10-19-38-27/h7-17,19,21,23,28H,5-6,18,20,22,24H2,1-4H3
PDB

KEGG

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PC cid
PC sid
UniChem

Similars

PubMed
14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]...


Bioorg Med Chem Lett 12: 403-6 (2002)


BindingDB Entry DOI: 10.7270/Q2542MXV
More data for this
Ligand-Target Pair