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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50440250'   
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


(Homo sapiens (Human))
BDBM50440250
PNG
(CHEMBL2426688)
Show SMILES CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H33N5O/c1-2-21-4-7-24(32-18-21)17-27(35)33-14-10-29(11-15-33)19-34(20-29)26-9-6-22-16-23(5-8-25(22)26)28-30-12-3-13-31-28/h3-5,7-8,12-13,16,18,26H,2,6,9-11,14-15,17,19-20H2,1H3/t26-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair