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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50222886'   
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
Ghrelin receptor


(Ovis aries)
BDBM50222886
PNG
(6-(4-chlorophenyl)-3-[2-(1-ethylpiperidin-3-yl)eth...)
Show SMILES CCN1CCCC(CCn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2OC)C1 |w:6.6|
Show InChI InChI=1S/C30H32ClN3O2/c1-3-33-17-6-7-21(20-33)16-18-34-29(25-8-4-5-9-28(25)36-2)32-27-15-12-23(19-26(27)30(34)35)22-10-13-24(31)14-11-22/h4-5,8-15,19,21H,3,6-7,16-18,20H2,1-2H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair