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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50395753'   
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))
BDBM50395753
PNG
(CHEMBL2164499)
Show SMILES CCN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)cc(Cl)c23)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H22Cl4N4O2/c1-2-29-5-7-30(8-6-29)12-19(31)28-22(13-3-4-15(24)16(25)9-13)20-17(26)10-14(23)11-18(20)27-21(22)32/h3-4,9-11H,2,5-8,12H2,1H3,(H,27,32)(H,28,31)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
8n/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))
BDBM50395753
PNG
(CHEMBL2164499)
Show SMILES CCN1CCN(CC(=O)NC2(C(=O)Nc3cc(Cl)cc(Cl)c23)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C22H22Cl4N4O2/c1-2-29-5-7-30(8-6-29)12-19(31)28-22(13-3-4-15(24)16(25)9-13)20-17(26)10-14(23)11-18(20)27-21(22)32/h3-4,9-11H,2,5-8,12H2,1H3,(H,27,32)(H,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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