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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50386950'   
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))
BDBM50386950
PNG
(CHEMBL2048815)
Show SMILES CCCOc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2ccc(OC)cc2)cn1
Show InChI InChI=1S/C25H33N3O3/c1-3-14-31-23-9-6-21(16-26-23)17-27-18-25(19-27)10-12-28(13-11-25)24(29)15-20-4-7-22(30-2)8-5-20/h4-9,16H,3,10-15,17-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
114n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386950
PNG
(CHEMBL2048815)
Show SMILES CCCOc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2ccc(OC)cc2)cn1
Show InChI InChI=1S/C25H33N3O3/c1-3-14-31-23-9-6-21(16-26-23)17-27-18-25(19-27)10-12-28(13-11-25)24(29)15-20-4-7-22(30-2)8-5-20/h4-9,16H,3,10-15,17-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 407n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair