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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor' and Ligand = 'BDBM50386959'   
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))
BDBM50386959
PNG
(CHEMBL2048824)
Show SMILES Clc1ccc2nc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-c5ncccn5)C4)CC3)cn2c1
Show InChI InChI=1S/C27H27ClN6O/c28-22-6-7-24-31-23(17-34(24)16-22)14-25(35)33-12-8-27(9-13-33)18-32(19-27)15-20-2-4-21(5-3-20)26-29-10-1-11-30-26/h1-7,10-11,16-17H,8-9,12-15,18-19H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
27n/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))
BDBM50386959
PNG
(CHEMBL2048824)
Show SMILES Clc1ccc2nc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-c5ncccn5)C4)CC3)cn2c1
Show InChI InChI=1S/C27H27ClN6O/c28-22-6-7-24-31-23(17-34(24)16-22)14-25(35)33-12-8-27(9-13-33)18-32(19-27)15-20-2-4-21(5-3-20)26-29-10-1-11-30-26/h1-7,10-11,16-17H,8-9,12-15,18-19H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 321n/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