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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 = 'BDBM50165591'   
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))
BDBM50165591
PNG
(CHEMBL3798155)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 |r|
Show InChI InChI=1S/C36H33F2N7O3/c1-22(46)40-30(16-23-8-4-3-5-9-23)34-43-44-35(45(34)21-24-12-14-27(48-2)15-13-24)31(17-25-20-39-29-11-7-6-10-28(25)29)42-36(47)32-18-26(37)19-33(38)41-32/h3-15,18-20,30-31,39H,16-17,21H2,1-2H3,(H,40,46)(H,42,47)/t30-,31-/m1/s1
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11n/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))
BDBM50165591
PNG
(CHEMBL3798155)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 |r|
Show InChI InChI=1S/C36H33F2N7O3/c1-22(46)40-30(16-23-8-4-3-5-9-23)34-43-44-35(45(34)21-24-12-14-27(48-2)15-13-24)31(17-25-20-39-29-11-7-6-10-28(25)29)42-36(47)32-18-26(37)19-33(38)41-32/h3-15,18-20,30-31,39H,16-17,21H2,1-2H3,(H,40,46)(H,42,47)/t30-,31-/m1/s1
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n/an/a 4n/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))
BDBM50165591
PNG
(CHEMBL3798155)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1 |r|
Show InChI InChI=1S/C36H33F2N7O3/c1-22(46)40-30(16-23-8-4-3-5-9-23)34-43-44-35(45(34)21-24-12-14-27(48-2)15-13-24)31(17-25-20-39-29-11-7-6-10-28(25)29)42-36(47)32-18-26(37)19-33(38)41-32/h3-15,18-20,30-31,39H,16-17,21H2,1-2H3,(H,40,46)(H,42,47)/t30-,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
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PC sid
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Similars

Article
PubMed
n/an/a 4n/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