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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50165600'   
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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165600
PNG
(CHEMBL3799567)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](N)Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H37N7O2/c1-32(2,34)31(40)36-28(18-23-19-35-27-12-8-7-11-25(23)27)30-38-37-29(26(33)17-21-9-5-4-6-10-21)39(30)20-22-13-15-24(41-3)16-14-22/h4-16,19,26,28,35H,17-18,20,33-34H2,1-3H3,(H,36,40)/t26-,28+/m0/s1
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165600
PNG
(CHEMBL3799567)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](N)Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H37N7O2/c1-32(2,34)31(40)36-28(18-23-19-35-27-12-8-7-11-25(23)27)30-38-37-29(26(33)17-21-9-5-4-6-10-21)39(30)20-22-13-15-24(41-3)16-14-22/h4-16,19,26,28,35H,17-18,20,33-34H2,1-3H3,(H,36,40)/t26-,28+/m0/s1
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and roli...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165600
PNG
(CHEMBL3799567)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](N)Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H37N7O2/c1-32(2,34)31(40)36-28(18-23-19-35-27-12-8-7-11-25(23)27)30-38-37-29(26(33)17-21-9-5-4-6-10-21)39(30)20-22-13-15-24(41-3)16-14-22/h4-16,19,26,28,35H,17-18,20,33-34H2,1-3H3,(H,36,40)/t26-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair