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SMILES: COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1

InChI Key: InChIKey=ZEWOKKRACQOIMW-IWWXRALLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 102979   
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))
BDBM102979
PNG
(US8546435, 7)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C35H39N7O4/c1-23(43)38-30(18-24-8-4-3-5-9-24)33-40-41-34(42(33)22-25-12-14-27(45-2)15-13-25)31(39-35(44)32-21-36-16-17-46-32)19-26-20-37-29-11-7-6-10-28(26)29/h3-15,20,30-32,36-37H,16-19,21-22H2,1-2H3,(H,38,43)(H,39,44)/t30-,31-,32+/m1/s1
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Article
PubMed
2n/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))
BDBM102979
PNG
(US8546435, 7)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C35H39N7O4/c1-23(43)38-30(18-24-8-4-3-5-9-24)33-40-41-34(42(33)22-25-12-14-27(45-2)15-13-25)31(39-35(44)32-21-36-16-17-46-32)19-26-20-37-29-11-7-6-10-28(26)29/h3-15,20,30-32,36-37H,16-19,21-22H2,1-2H3,(H,38,43)(H,39,44)/t30-,31-,32+/m1/s1
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n/an/a 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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102979
PNG
(US8546435, 7)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C35H39N7O4/c1-23(43)38-30(18-24-8-4-3-5-9-24)33-40-41-34(42(33)22-25-12-14-27(45-2)15-13-25)31(39-35(44)32-21-36-16-17-46-32)19-26-20-37-29-11-7-6-10-28(26)29/h3-15,20,30-32,36-37H,16-19,21-22H2,1-2H3,(H,38,43)(H,39,44)/t30-,31-,32+/m1/s1
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US Patent
n/an/a 3.40n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.


US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM102979
PNG
(US8546435, 7)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C35H39N7O4/c1-23(43)38-30(18-24-8-4-3-5-9-24)33-40-41-34(42(33)22-25-12-14-27(45-2)15-13-25)31(39-35(44)32-21-36-16-17-46-32)19-26-20-37-29-11-7-6-10-28(26)29/h3-15,20,30-32,36-37H,16-19,21-22H2,1-2H3,(H,38,43)(H,39,44)/t30-,31-,32+/m1/s1
PDB

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Article
PubMed
n/an/a 9n/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