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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 = 'BDBM50149266'   
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))
BDBM50149266
PNG
(3-((S)-2-Amino-propyl)-1-(2,6-difluoro-benzyl)-5-(...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N)c1=O |wD:26.29,(24.66,-3.65,;23.32,-4.42,;23.32,-5.96,;24.67,-6.73,;24.66,-8.27,;23.32,-9.04,;21.99,-8.26,;21.99,-6.73,;20.66,-5.95,;20.66,-9.01,;20.66,-10.55,;21.99,-11.32,;19.32,-11.34,;19.32,-12.88,;20.65,-13.65,;20.65,-15.19,;19.3,-15.96,;21.98,-15.96,;23.32,-15.19,;23.32,-13.63,;21.98,-12.86,;23.06,-11.77,;17.99,-10.55,;16.64,-11.32,;17.99,-9.01,;16.66,-8.24,;15.31,-9.01,;15.31,-10.55,;13.98,-8.24,;19.33,-8.24,;19.33,-6.7,)|
Show InChI InChI=1S/C22H22F3N3O3/c1-12(26)10-28-21(29)19(14-6-4-9-18(31-3)20(14)25)13(2)27(22(28)30)11-15-16(23)7-5-8-17(15)24/h4-9,12H,10-11,26H2,1-3H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50149266
PNG
(3-((S)-2-Amino-propyl)-1-(2,6-difluoro-benzyl)-5-(...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](C)N)c1=O |wD:26.29,(24.66,-3.65,;23.32,-4.42,;23.32,-5.96,;24.67,-6.73,;24.66,-8.27,;23.32,-9.04,;21.99,-8.26,;21.99,-6.73,;20.66,-5.95,;20.66,-9.01,;20.66,-10.55,;21.99,-11.32,;19.32,-11.34,;19.32,-12.88,;20.65,-13.65,;20.65,-15.19,;19.3,-15.96,;21.98,-15.96,;23.32,-15.19,;23.32,-13.63,;21.98,-12.86,;23.06,-11.77,;17.99,-10.55,;16.64,-11.32,;17.99,-9.01,;16.66,-8.24,;15.31,-9.01,;15.31,-10.55,;13.98,-8.24,;19.33,-8.24,;19.33,-6.7,)|
Show InChI InChI=1S/C22H22F3N3O3/c1-12(26)10-28-21(29)19(14-6-4-9-18(31-3)20(14)25)13(2)27(22(28)30)11-15-16(23)7-5-8-17(15)24/h4-9,12H,10-11,26H2,1-3H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I-Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expresse...


J Med Chem 47: 3483-6 (2004)


Article DOI: 10.1021/jm049791w
BindingDB Entry DOI: 10.7270/Q2HT2NTX
More data for this
Ligand-Target Pair