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PubMed code 25435152

Compile data set for download or QSAR
Found 58 hits of Enzyme Inhibition Constant Data   
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))
BDBM50089878
PNG
(CHEMBL3581030)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-27-17-14-25(15-18-27)23-40-32(19-16-24-9-3-2-4-10-24)38-39-33(40)31(37-34(41)30-13-7-8-20-35-30)21-26-22-36-29-12-6-5-11-28(26)29/h2-15,17-18,20,22,31,36H,16,19,21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089869
PNG
(CHEMBL3581039)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089899
PNG
(CHEMBL3581042)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1
Show InChI InChI=1S/C35H34N6O3/c1-43-27-18-15-25(16-19-27)23-41-32(20-17-24-9-4-3-5-10-24)39-40-34(41)31(21-26-22-36-29-12-7-6-11-28(26)29)38-35(42)30-13-8-14-33(37-30)44-2/h3-16,18-19,22,31,36H,17,20-21,23H2,1-2H3,(H,38,42)/t31-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089869
PNG
(CHEMBL3581039)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089869
PNG
(CHEMBL3581039)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089868
PNG
(CHEMBL3581040)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1
Show InChI InChI=1S/C34H30F2N6O2/c1-44-26-14-11-23(12-15-26)21-42-31(16-13-22-7-3-2-4-8-22)40-41-33(42)30(17-24-19-37-29-10-6-5-9-27(24)29)39-34(43)32-28(36)18-25(35)20-38-32/h2-12,14-15,18-20,30,37H,13,16-17,21H2,1H3,(H,39,43)/t30-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089870
PNG
(CHEMBL3581038)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)32-28(35)11-7-19-36-32)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089879
PNG
(CHEMBL3581041)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1
Show InChI InChI=1S/C35H34N6O2/c1-24-9-8-14-31(37-24)35(42)38-32(21-27-22-36-30-13-7-6-12-29(27)30)34-40-39-33(20-17-25-10-4-3-5-11-25)41(34)23-26-15-18-28(43-2)19-16-26/h3-16,18-19,22,32,36H,17,20-21,23H2,1-2H3,(H,38,42)/t32-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089868
PNG
(CHEMBL3581040)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1
Show InChI InChI=1S/C34H30F2N6O2/c1-44-26-14-11-23(12-15-26)21-42-31(16-13-22-7-3-2-4-8-22)40-41-33(42)30(17-24-19-37-29-10-6-5-9-27(24)29)39-34(43)32-28(36)18-25(35)20-38-32/h2-12,14-15,18-20,30,37H,13,16-17,21H2,1H3,(H,39,43)/t30-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089878
PNG
(CHEMBL3581030)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-27-17-14-25(15-18-27)23-40-32(19-16-24-9-3-2-4-10-24)38-39-33(40)31(37-34(41)30-13-7-8-20-35-30)21-26-22-36-29-12-6-5-11-28(26)29/h2-15,17-18,20,22,31,36H,16,19,21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089868
PNG
(CHEMBL3581040)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1
Show InChI InChI=1S/C34H30F2N6O2/c1-44-26-14-11-23(12-15-26)21-42-31(16-13-22-7-3-2-4-8-22)40-41-33(42)30(17-24-19-37-29-10-6-5-9-27(24)29)39-34(43)32-28(36)18-25(35)20-38-32/h2-12,14-15,18-20,30,37H,13,16-17,21H2,1H3,(H,39,43)/t30-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089879
PNG
(CHEMBL3581041)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1
Show InChI InChI=1S/C35H34N6O2/c1-24-9-8-14-31(37-24)35(42)38-32(21-27-22-36-30-13-7-6-12-29(27)30)34-40-39-33(20-17-25-10-4-3-5-11-25)41(34)23-26-15-18-28(43-2)19-16-26/h3-16,18-19,22,32,36H,17,20-21,23H2,1-2H3,(H,38,42)/t32-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089886
PNG
(CHEMBL3581043)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H2,35,37)(H,38,42)/t30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089878
PNG
(CHEMBL3581030)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-27-17-14-25(15-18-27)23-40-32(19-16-24-9-3-2-4-10-24)38-39-33(40)31(37-34(41)30-13-7-8-20-35-30)21-26-22-36-29-12-6-5-11-28(26)29/h2-15,17-18,20,22,31,36H,16,19,21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089870
PNG
(CHEMBL3581038)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)32-28(35)11-7-19-36-32)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089879
PNG
(CHEMBL3581041)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(C)n2)cc1
Show InChI InChI=1S/C35H34N6O2/c1-24-9-8-14-31(37-24)35(42)38-32(21-27-22-36-30-13-7-6-12-29(27)30)34-40-39-33(20-17-25-10-4-3-5-11-25)41(34)23-26-15-18-28(43-2)19-16-26/h3-16,18-19,22,32,36H,17,20-21,23H2,1-2H3,(H,38,42)/t32-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089899
PNG
(CHEMBL3581042)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1
Show InChI InChI=1S/C35H34N6O3/c1-43-27-18-15-25(16-19-27)23-41-32(20-17-24-9-4-3-5-10-24)39-40-34(41)31(21-26-22-36-29-12-7-6-11-28(26)29)38-35(42)30-13-8-14-33(37-30)44-2/h3-16,18-19,22,31,36H,17,20-21,23H2,1-2H3,(H,38,42)/t31-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089870
PNG
(CHEMBL3581038)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)32-28(35)11-7-19-36-32)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089899
PNG
(CHEMBL3581042)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1
Show InChI InChI=1S/C35H34N6O3/c1-43-27-18-15-25(16-19-27)23-41-32(20-17-24-9-4-3-5-10-24)39-40-34(41)31(21-26-22-36-29-12-7-6-11-28(26)29)38-35(42)30-13-8-14-33(37-30)44-2/h3-16,18-19,22,31,36H,17,20-21,23H2,1-2H3,(H,38,42)/t31-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089886
PNG
(CHEMBL3581043)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H2,35,37)(H,38,42)/t30-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089886
PNG
(CHEMBL3581043)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(N)n2)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H2,35,37)(H,38,42)/t30-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19296
PNG
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxy...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1
Show InChI InChI=1S/C30H32N6O2/c1-38-24-14-11-22(12-15-24)20-36-28(16-13-21-7-3-2-4-8-21)34-35-30(36)27(33-29(37)18-31)17-23-19-32-26-10-6-5-9-25(23)26/h2-12,14-15,19,27,32H,13,16-18,20,31H2,1H3,(H,33,37)/t27-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089884
PNG
(CHEMBL3581045)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1
Show InChI InChI=1S/C34H32N6O3/c1-43-27-17-14-25(15-18-27)23-39-32(19-16-24-9-3-2-4-10-24)37-38-33(39)30(36-34(41)31-13-7-8-20-40(31)42)21-26-22-35-29-12-6-5-11-28(26)29/h2-15,17-18,20,22,30,35H,16,19,21,23H2,1H3,(H,36,41)/t30-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089883
PNG
(CHEMBL3581046)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cn2)N2CCCC2)cc1
Show InChI InChI=1S/C38H39N7O2/c1-47-31-17-13-28(14-18-31)26-45-36(20-15-27-9-3-2-4-10-27)42-43-37(45)35(23-29-24-39-33-12-6-5-11-32(29)33)41-38(46)34-19-16-30(25-40-34)44-21-7-8-22-44/h2-6,9-14,16-19,24-25,35,39H,7-8,15,20-23,26H2,1H3,(H,41,46)/t35-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089881
PNG
(CHEMBL3580668)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1
Show InChI InChI=1S/C38H34N6O2/c1-46-30-18-15-27(16-19-30)25-44-35(20-17-26-9-3-2-4-10-26)42-43-37(44)34(23-29-24-40-33-14-8-7-12-31(29)33)41-38(45)36-32-13-6-5-11-28(32)21-22-39-36/h2-16,18-19,21-22,24,34,40H,17,20,23,25H2,1H3,(H,41,45)/t34-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089884
PNG
(CHEMBL3581045)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1
Show InChI InChI=1S/C34H32N6O3/c1-43-27-17-14-25(15-18-27)23-39-32(19-16-24-9-3-2-4-10-24)37-38-33(39)30(36-34(41)31-13-7-8-20-40(31)42)21-26-22-35-29-12-6-5-11-28(26)29/h2-15,17-18,20,22,30,35H,16,19,21,23H2,1H3,(H,36,41)/t30-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089881
PNG
(CHEMBL3580668)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1
Show InChI InChI=1S/C38H34N6O2/c1-46-30-18-15-27(16-19-30)25-44-35(20-17-26-9-3-2-4-10-26)42-43-37(44)34(23-29-24-40-33-14-8-7-12-31(29)33)41-38(45)36-32-13-6-5-11-28(32)21-22-39-36/h2-16,18-19,21-22,24,34,40H,17,20,23,25H2,1H3,(H,41,45)/t34-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089874
PNG
(CHEMBL3581034)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1
Show InChI InChI=1S/C34H31BrN6O2/c1-43-28-14-11-24(12-15-28)22-41-32(16-13-23-7-3-2-4-8-23)39-40-33(41)31(38-34(42)26-17-27(35)21-36-19-26)18-25-20-37-30-10-6-5-9-29(25)30/h2-12,14-15,17,19-21,31,37H,13,16,18,22H2,1H3,(H,38,42)/t31-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089874
PNG
(CHEMBL3581034)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1
Show InChI InChI=1S/C34H31BrN6O2/c1-43-28-14-11-24(12-15-28)22-41-32(16-13-23-7-3-2-4-8-23)39-40-33(41)31(38-34(42)26-17-27(35)21-36-19-26)18-25-20-37-30-10-6-5-9-29(25)30/h2-12,14-15,17,19-21,31,37H,13,16,18,22H2,1H3,(H,38,42)/t31-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089880
PNG
(CHEMBL3581048)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1
Show InChI InChI=1S/C38H34N6O2/c1-46-31-18-15-27(16-19-31)25-44-36(20-17-26-9-3-2-4-10-26)42-43-37(44)34(22-30-24-39-33-14-8-7-13-32(30)33)41-38(45)35-21-28-11-5-6-12-29(28)23-40-35/h2-16,18-19,21,23-24,34,39H,17,20,22,25H2,1H3,(H,41,45)/t34-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089885
PNG
(CHEMBL3581044)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1
Show InChI InChI=1S/C34H32N6O3/c1-43-26-16-13-24(14-17-26)22-40-31(18-15-23-8-3-2-4-9-23)38-39-33(40)29(37-34(42)32-30(41)12-7-19-35-32)20-25-21-36-28-11-6-5-10-27(25)28/h2-14,16-17,19,21,29,36,41H,15,18,20,22H2,1H3,(H,37,42)/t29-/m1/s1
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n/an/a 108n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089884
PNG
(CHEMBL3581045)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc[n+]2[O-])cc1
Show InChI InChI=1S/C34H32N6O3/c1-43-27-17-14-25(15-18-27)23-39-32(19-16-24-9-3-2-4-10-24)37-38-33(39)30(36-34(41)31-13-7-8-20-40(31)42)21-26-22-35-29-12-6-5-11-28(26)29/h2-15,17-18,20,22,30,35H,16,19,21,23H2,1H3,(H,36,41)/t30-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089875
PNG
(CHEMBL3581033)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-28-16-13-25(14-17-28)23-40-32(18-15-24-8-3-2-4-9-24)38-39-33(40)31(37-34(41)26-10-7-19-35-21-26)20-27-22-36-30-12-6-5-11-29(27)30/h2-14,16-17,19,21-22,31,36H,15,18,20,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 122n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089880
PNG
(CHEMBL3581048)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1
Show InChI InChI=1S/C38H34N6O2/c1-46-31-18-15-27(16-19-31)25-44-36(20-17-26-9-3-2-4-10-26)42-43-37(44)34(22-30-24-39-33-14-8-7-13-32(30)33)41-38(45)35-21-28-11-5-6-12-29(28)23-40-35/h2-16,18-19,21,23-24,34,39H,17,20,22,25H2,1H3,(H,41,45)/t34-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089872
PNG
(CHEMBL3581036)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C34H31ClN6O2/c1-43-27-15-11-24(12-16-27)22-41-32(18-13-23-7-3-2-4-8-23)39-40-33(41)30(38-34(42)25-14-17-31(35)37-20-25)19-26-21-36-29-10-6-5-9-28(26)29/h2-12,14-17,20-21,30,36H,13,18-19,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089881
PNG
(CHEMBL3580668)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1
Show InChI InChI=1S/C38H34N6O2/c1-46-30-18-15-27(16-19-30)25-44-35(20-17-26-9-3-2-4-10-26)42-43-37(44)34(23-29-24-40-33-14-8-7-12-31(29)33)41-38(45)36-32-13-6-5-11-28(32)21-22-39-36/h2-16,18-19,21-22,24,34,40H,17,20,23,25H2,1H3,(H,41,45)/t34-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089885
PNG
(CHEMBL3581044)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1
Show InChI InChI=1S/C34H32N6O3/c1-43-26-16-13-24(14-17-26)22-40-31(18-15-23-8-3-2-4-9-23)38-39-33(40)29(37-34(42)32-30(41)12-7-19-35-32)20-25-21-36-28-11-6-5-10-27(25)28/h2-14,16-17,19,21,29,36,41H,15,18,20,22H2,1H3,(H,37,42)/t29-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089873
PNG
(CHEMBL3581035)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1
Show InChI InChI=1S/C34H31BrN6O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)28-11-7-19-36-32(28)35)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 193n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089876
PNG
(CHEMBL3581032)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-28-14-11-25(12-15-28)23-40-32(16-13-24-7-3-2-4-8-24)38-39-33(40)31(37-34(41)26-17-19-35-20-18-26)21-27-22-36-30-10-6-5-9-29(27)30/h2-12,14-15,17-20,22,31,36H,13,16,21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089874
PNG
(CHEMBL3581034)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cncc(Br)c2)cc1
Show InChI InChI=1S/C34H31BrN6O2/c1-43-28-14-11-24(12-15-28)22-41-32(16-13-23-7-3-2-4-8-23)39-40-33(41)31(38-34(42)26-17-27(35)21-36-19-26)18-25-20-37-30-10-6-5-9-29(25)30/h2-12,14-15,17,19-21,31,37H,13,16,18,22H2,1H3,(H,38,42)/t31-/m1/s1
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n/an/a 222n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089882
PNG
(CHEMBL3581047)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H36N6O3/c1-50-32-21-18-29(19-22-32)27-47-37(23-20-28-11-4-2-5-12-28)45-46-40(47)36(25-31-26-43-35-17-9-8-15-33(31)35)44-41(49)38-34(16-10-24-42-38)39(48)30-13-6-3-7-14-30/h2-19,21-22,24,26,36,43H,20,23,25,27H2,1H3,(H,44,49)/t36-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089882
PNG
(CHEMBL3581047)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H36N6O3/c1-50-32-21-18-29(19-22-32)27-47-37(23-20-28-11-4-2-5-12-28)45-46-40(47)36(25-31-26-43-35-17-9-8-15-33(31)35)44-41(49)38-34(16-10-24-42-38)39(48)30-13-6-3-7-14-30/h2-19,21-22,24,26,36,43H,20,23,25,27H2,1H3,(H,44,49)/t36-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089885
PNG
(CHEMBL3581044)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2O)cc1
Show InChI InChI=1S/C34H32N6O3/c1-43-26-16-13-24(14-17-26)22-40-31(18-15-23-8-3-2-4-9-23)38-39-33(40)29(37-34(42)32-30(41)12-7-19-35-32)20-25-21-36-28-11-6-5-10-27(25)28/h2-14,16-17,19,21,29,36,41H,15,18,20,22H2,1H3,(H,37,42)/t29-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089873
PNG
(CHEMBL3581035)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1
Show InChI InChI=1S/C34H31BrN6O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)28-11-7-19-36-32(28)35)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089882
PNG
(CHEMBL3581047)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C41H36N6O3/c1-50-32-21-18-29(19-22-32)27-47-37(23-20-28-11-4-2-5-12-28)45-46-40(47)36(25-31-26-43-35-17-9-8-15-33(31)35)44-41(49)38-34(16-10-24-42-38)39(48)30-13-6-3-7-14-30/h2-19,21-22,24,26,36,43H,20,23,25,27H2,1H3,(H,44,49)/t36-/m1/s1
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n/an/a 313n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089875
PNG
(CHEMBL3581033)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-28-16-13-25(14-17-28)23-40-32(18-15-24-8-3-2-4-9-24)38-39-33(40)31(37-34(41)26-10-7-19-35-21-26)20-27-22-36-30-12-6-5-11-29(27)30/h2-14,16-17,19,21-22,31,36H,15,18,20,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 337n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089871
PNG
(CHEMBL3581037)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)28-11-7-19-36-32(28)35)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H2,35,36)(H,38,42)/t30-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089880
PNG
(CHEMBL3581048)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc3ccccc3cn2)cc1
Show InChI InChI=1S/C38H34N6O2/c1-46-31-18-15-27(16-19-31)25-44-36(20-17-26-9-3-2-4-10-26)42-43-37(44)34(22-30-24-39-33-14-8-7-13-32(30)33)41-38(45)35-21-28-11-5-6-12-29(28)23-40-35/h2-16,18-19,21,23-24,34,39H,17,20,22,25H2,1H3,(H,41,45)/t34-/m1/s1
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n/an/a 404n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089875
PNG
(CHEMBL3581033)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-28-16-13-25(14-17-28)23-40-32(18-15-24-8-3-2-4-9-24)38-39-33(40)31(37-34(41)26-10-7-19-35-21-26)20-27-22-36-30-12-6-5-11-29(27)30/h2-14,16-17,19,21-22,31,36H,15,18,20,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 411n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089871
PNG
(CHEMBL3581037)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)28-11-7-19-36-32(28)35)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H2,35,36)(H,38,42)/t30-/m1/s1
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n/an/a 427n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089873
PNG
(CHEMBL3581035)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2Br)cc1
Show InChI InChI=1S/C34H31BrN6O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)28-11-7-19-36-32(28)35)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 510n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089871
PNG
(CHEMBL3581037)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccnc2N)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)28-11-7-19-36-32(28)35)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H2,35,36)(H,38,42)/t30-/m1/s1
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n/an/a 671n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089872
PNG
(CHEMBL3581036)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C34H31ClN6O2/c1-43-27-15-11-24(12-16-27)22-41-32(18-13-23-7-3-2-4-8-23)39-40-33(41)30(38-34(42)25-14-17-31(35)37-20-25)19-26-21-36-29-10-6-5-9-28(26)29/h2-12,14-17,20-21,30,36H,13,18-19,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 771n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089876
PNG
(CHEMBL3581032)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-28-14-11-25(12-15-28)23-40-32(16-13-24-7-3-2-4-8-24)38-39-33(40)31(37-34(41)26-17-19-35-20-18-26)21-27-22-36-30-10-6-5-9-29(27)30/h2-12,14-15,17-20,22,31,36H,13,16,21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 828n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089877
PNG
(CHEMBL3581031)
Show SMILES Cl.COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](N)Cc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C28H29N5O.ClH/c1-34-23-14-11-21(12-15-23)19-33-27(16-13-20-7-3-2-4-8-20)31-32-28(33)25(29)17-22-18-30-26-10-6-5-9-24(22)26;/h2-12,14-15,18,25,30H,13,16-17,19,29H2,1H3;1H/t25-;/m1./s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089872
PNG
(CHEMBL3581036)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C34H31ClN6O2/c1-43-27-15-11-24(12-16-27)22-41-32(18-13-23-7-3-2-4-8-23)39-40-33(41)30(38-34(42)25-14-17-31(35)37-20-25)19-26-21-36-29-10-6-5-9-28(26)29/h2-12,14-17,20-21,30,36H,13,18-19,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089883
PNG
(CHEMBL3581046)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cn2)N2CCCC2)cc1
Show InChI InChI=1S/C38H39N7O2/c1-47-31-17-13-28(14-18-31)26-45-36(20-15-27-9-3-2-4-10-27)42-43-37(45)35(23-29-24-39-33-12-6-5-11-32(29)33)41-38(46)34-19-16-30(25-40-34)44-21-7-8-22-44/h2-6,9-14,16-19,24-25,35,39H,7-8,15,20-23,26H2,1H3,(H,41,46)/t35-/m1/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089883
PNG
(CHEMBL3581046)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cn2)N2CCCC2)cc1
Show InChI InChI=1S/C38H39N7O2/c1-47-31-17-13-28(14-18-31)26-45-36(20-15-27-9-3-2-4-10-27)42-43-37(45)35(23-29-24-39-33-12-6-5-11-32(29)33)41-38(46)34-19-16-30(25-40-34)44-21-7-8-22-44/h2-6,9-14,16-19,24-25,35,39H,7-8,15,20-23,26H2,1H3,(H,41,46)/t35-/m1/s1
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n/an/a 2.12E+3n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%