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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 = 'BDBM50260755'   
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))
BDBM50260755
PNG
((R)-2-(4-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(CNCC(O)=O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H26F4N4O4/c30-24-8-4-7-23(29(31,32)33)22(24)16-36-15-21(19-11-9-18(10-12-19)13-35-14-26(38)39)27(40)37(28(36)41)17-25(34)20-5-2-1-3-6-20/h1-12,15,25,35H,13-14,16-17,34H2,(H,38,39)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Pro-N-Et-GnRH from human cloned GnRH receptor expressed in HEK 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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50260755
PNG
((R)-2-(4-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3...)
Show SMILES N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(CNCC(O)=O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H26F4N4O4/c30-24-8-4-7-23(29(31,32)33)22(24)16-36-15-21(19-11-9-18(10-12-19)13-35-14-26(38)39)27(40)37(28(36)41)17-25(34)20-5-2-1-3-6-20/h1-12,15,25,35H,13-14,16-17,34H2,(H,38,39)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GnRHR


Bioorg Med Chem Lett 18: 3301-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.036
BindingDB Entry DOI: 10.7270/Q2JD4WKM
More data for this
Ligand-Target Pair