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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50395754'   
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))
BDBM50395754
PNG
(CHEMBL2164497)
Show SMILES CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H23Cl3N4O2/c1-13-9-15-19(11-17(13)24)26-21(31)22(15,14-3-4-16(23)18(25)10-14)27-20(30)12-29-7-5-28(2)6-8-29/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,31)(H,27,30)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/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))
BDBM50395754
PNG
(CHEMBL2164497)
Show SMILES CN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)c(C)cc23)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H23Cl3N4O2/c1-13-9-15-19(11-17(13)24)26-21(31)22(15,14-3-4-16(23)18(25)10-14)27-20(30)12-29-7-5-28(2)6-8-29/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,31)(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/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