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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50395744'   
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))
BDBM50395744
PNG
(CHEMBL2164831)
Show SMILES CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)cc(Cl)c23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-18(29)26-21(13-2-4-14(22)5-3-13)19-16(24)10-15(23)11-17(19)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29)
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



Sanofi Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHSR1 expressed in CHO-CREluc cells after 1 hr by scintillation counting


Bioorg Med Chem 20: 5623-36 (2012)


Article DOI: 10.1016/j.bmc.2012.07.018
BindingDB Entry DOI: 10.7270/Q2HD7WS4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50395744
PNG
(CHEMBL2164831)
Show SMILES CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)cc(Cl)c23)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H21Cl3N4O2/c1-27-6-8-28(9-7-27)12-18(29)26-21(13-2-4-14(22)5-3-13)19-16(24)10-15(23)11-17(19)25-20(21)30/h2-5,10-11H,6-9,12H2,1H3,(H,25,30)(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Sanofi Research

Curated by ChEMBL


Assay Description
Antagonist activity at human GHSR1 expressed in CHO-CREluc cells after 4 hrs by Luciferase reporter assay


Bioorg Med Chem 20: 5623-36 (2012)


Article DOI: 10.1016/j.bmc.2012.07.018
BindingDB Entry DOI: 10.7270/Q2HD7WS4
More data for this
Ligand-Target Pair