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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gonadotropin-releasing hormone receptor' and Ligand = 'BDBM50213657'   
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


(Rattus norvegicus)
BDBM50213657
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(6-fluoro-1H...)
Show SMILES C[C@H](CNCCc1cc2[nH]nnc2cc1F)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H35F5N6O/c1-19-11-20(2)13-23(12-19)34-33(21(3)17-41-9-7-22-14-30-31(16-28(22)37)44-45-43-30)25-18-46(10-8-29(25)42-34)32(47)15-24-26(35(38,39)40)5-4-6-27(24)36/h4-6,11-14,16,21,41-42H,7-10,15,17-18H2,1-3H3,(H,43,44,45)/t21-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50213657
PNG
((S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(6-fluoro-1H...)
Show SMILES C[C@H](CNCCc1cc2[nH]nnc2cc1F)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)Cc1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C35H35F5N6O/c1-19-11-20(2)13-23(12-19)34-33(21(3)17-41-9-7-22-14-30-31(16-28(22)37)44-45-43-30)25-18-46(10-8-29(25)42-34)32(47)15-24-26(35(38,39)40)5-4-6-27(24)36/h4-6,11-14,16,21,41-42H,7-10,15,17-18H2,1-3H3,(H,43,44,45)/t21-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GnRHR in rat pituitary cells assessed as inhibition of GnRH-stimulated LH release


Bioorg Med Chem Lett 17: 3845-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.009
BindingDB Entry DOI: 10.7270/Q2JD4WHQ
More data for this
Ligand-Target Pair