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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 = 'BDBM50109205'   
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))
BDBM50109205
PNG
(8-Cyano-1-(2-fluoro-benzyl)-7-(4-methoxy-phenyl)-6...)
Show SMILES CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C37H38FN5O4/c1-5-28(6-2)47-37(45)31-23-42(22-26-11-7-8-13-32(26)38)35-30(21-39)34(25-14-16-29(46-4)17-15-25)33(43(35)36(31)44)24-41(3)20-18-27-12-9-10-19-40-27/h7-17,19,23,28H,5-6,18,20,22,24H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
180n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human GnRH receptor expressed in HEK293 cells using des-Gly10[125I]Tyr5, D-Leu, NMeLeu, Pro-NEt GnRH as radioligand.


Bioorg Med Chem Lett 12: 399-402 (2002)


BindingDB Entry DOI: 10.7270/Q28W3CMT
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50109205
PNG
(8-Cyano-1-(2-fluoro-benzyl)-7-(4-methoxy-phenyl)-6...)
Show SMILES CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(c(CN(C)CCc3ccccn3)n2c1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C37H38FN5O4/c1-5-28(6-2)47-37(45)31-23-42(22-26-11-7-8-13-32(26)38)35-30(21-39)34(25-14-16-29(46-4)17-15-25)33(43(35)36(31)44)24-41(3)20-18-27-12-9-10-19-40-27/h7-17,19,23,28H,5-6,18,20,22,24H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.70E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound against gonadotropin-releasing hormone receptor of rat


Bioorg Med Chem Lett 12: 399-402 (2002)


BindingDB Entry DOI: 10.7270/Q28W3CMT
More data for this
Ligand-Target Pair