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SMILES: COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1

InChI Key: InChIKey=XDUYYVYSUSRUMY-ROJLCIKYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50165592   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50165592
PNG
(CHEMBL3799776)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 |r|
Show InChI InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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4n/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))
BDBM50165592
PNG
(CHEMBL3799776)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 |r|
Show InChI InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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n/an/a 2n/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))
BDBM50165592
PNG
(CHEMBL3799776)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1 |r|
Show InChI InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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