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Compile Data Set for Download or QSAR

Found 1837 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor'   
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))
BDBM50412965
PNG
(CHEMBL480821)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C21H26FN3O4S/c1-14-5-8-20(29-14)17-7-6-16(12-18(17)22)30(27,28)25-10-3-2-4-19(25)21(26)24-11-9-15(23)13-24/h5-8,12,15,19H,2-4,9-11,13,23H2,1H3/t15-,19+/m1/s1
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n/an/an/an/a 0.0501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412954
PNG
(CHEMBL251572 | SB-791016 | SB-791016A)
Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C24H28N4O3S2/c1-16-14-27(15-17(2)26-16)21-13-20-18(12-22(21)31-3)9-11-28(20)33(29,30)24-8-7-23(32-24)19-6-4-5-10-25-19/h4-8,10,12-13,16-17,26H,9,11,14-15H2,1-3H3/t16-,17+
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412966
PNG
(CHEMBL481013)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](N)C1
Show InChI InChI=1S/C21H26FN3O4S/c1-14-5-8-20(29-14)17-7-6-16(12-18(17)22)30(27,28)25-10-3-2-4-19(25)21(26)24-11-9-15(23)13-24/h5-8,12,15,19H,2-4,9-11,13,23H2,1H3/t15-,19-/m0/s1
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50376781
PNG
(CHEMBL410085)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(O)c1
Show InChI InChI=1S/C26H35N7O4/c1-26(2,27)25(36)29-22(18-37-17-20-8-4-3-5-9-20)24-30-31-32-33(24)15-7-12-23(35)28-14-13-19-10-6-11-21(34)16-19/h3-6,8-11,16,22,34H,7,12-15,17-18,27H2,1-2H3,(H,28,35)(H,29,36)/t22-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50376783
PNG
(CHEMBL259166)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCSCCO
Show InChI InChI=1S/C22H35N7O4S/c1-22(2,23)21(32)25-18(16-33-15-17-7-4-3-5-8-17)20-26-27-28-29(20)11-6-9-19(31)24-10-13-34-14-12-30/h3-5,7-8,18,30H,6,9-16,23H2,1-2H3,(H,24,31)(H,25,32)/t18-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50376760
PNG
(CHEMBL410074)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(=O)(=O)CCO
Show InChI InChI=1S/C22H35N7O6S/c1-22(2,23)21(32)25-18(16-35-15-17-7-4-3-5-8-17)20-26-27-28-29(20)11-6-9-19(31)24-10-13-36(33,34)14-12-30/h3-5,7-8,18,30H,6,9-16,23H2,1-2H3,(H,24,31)(H,25,32)/t18-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412978
PNG
(CHEMBL518774)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CC[C@H](O)[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C20H24FN3O5S/c1-12-2-5-18(29-12)15-4-3-14(10-16(15)21)30(27,28)24-9-7-17(25)19(24)20(26)23-8-6-13(22)11-23/h2-5,10,13,17,19,25H,6-9,11,22H2,1H3/t13-,17+,19+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412963
PNG
(CHEMBL481796)
Show SMILES Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C21H27N3O4S/c1-15-5-10-20(28-15)16-6-8-18(9-7-16)29(26,27)24-12-3-2-4-19(24)21(25)23-13-11-17(22)14-23/h5-10,17,19H,2-4,11-14,22H2,1H3/t17-,19+/m1/s1
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n/an/an/an/a 0.251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50243597
PNG
((R)-2-(5-(1-(2-amino-2-methylpropanamido)-4,4-difl...)
Show SMILES CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H33F2N7O4/c1-21(2,25)19(33)27-17(10-11-22(23,24)16-8-4-3-5-9-16)18-28-29-30-31(18)13-15-35-20(34)26-12-6-7-14-32/h3-5,8-9,17,32H,6-7,10-15,25H2,1-2H3,(H,26,34)(H,27,33)/t17-/m1/s1
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n/an/an/an/a 0.270n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


Bioorg Med Chem Lett 18: 4072-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.100
BindingDB Entry DOI: 10.7270/Q2DR2WF8
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50206768
PNG
(4-((R)-1-{(R)-1-[((S)-carbamoyl-phenyl-methyl)-car...)
Show SMILES NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CC[NH2+]CC1)c1ccccc1
Show InChI InChI=1S/C40H41N5O4/c41-37(46)36(30-10-2-1-3-11-30)45-40(49)35(25-27-15-17-29-9-5-7-13-33(29)23-27)44-39(48)34(43-38(47)31-18-20-42-21-19-31)24-26-14-16-28-8-4-6-12-32(28)22-26/h1-17,22-23,31,34-36,42H,18-21,24-25H2,(H2,41,46)(H,43,47)(H,44,48)(H,45,49)/p+1/t34-,35-,36+/m1/s1
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n/an/an/an/a 0.280n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1


Bioorg Med Chem 15: 3054-64 (2007)


Article DOI: 10.1016/j.bmc.2007.01.057
BindingDB Entry DOI: 10.7270/Q25M66HV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50371684
PNG
(CHEMBL270666)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1O)CC#N
Show InChI InChI=1S/C24H29N7O4/c1-24(2,26)23(33)27-19(16-34-14-17-8-4-3-5-9-17)22-28-29-30-31(22)18(12-13-25)15-35-21-11-7-6-10-20(21)32/h3-11,18-19,32H,12,14-16,26H2,1-2H3,(H,27,33)/t18-,19-/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412972
PNG
(CHEMBL482220)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H25Cl2N3O3S/c23-16-6-9-20(24)19(13-16)15-4-7-18(8-5-15)31(29,30)27-11-2-1-3-21(27)22(28)26-12-10-17(25)14-26/h4-9,13,17,21H,1-3,10-12,14,25H2/t17-,21+/m1/s1
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n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50235838
PNG
((4-hydroxy-butyl)-carbamic acid 2-{5-[(S)-1-(2-ami...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C27H37N7O5/c1-27(2,28)25(36)30-23(19-38-18-21-12-6-7-13-22(21)20-10-4-3-5-11-20)24-31-32-33-34(24)15-17-39-26(37)29-14-8-9-16-35/h3-7,10-13,23,35H,8-9,14-19,28H2,1-2H3,(H,29,37)(H,30,36)/t23-/m1/s1
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n/an/an/an/a 0.340n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50066101
PNG
(CHEMBL322912 | Piperidine-4-carboxylic acid {(R)-1...)
Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
Show InChI InChI=1S/C42H45N5O4/c43-39(48)28-47(23-20-29-8-2-1-3-9-29)42(51)38(27-31-15-17-33-11-5-7-13-36(33)25-31)46-41(50)37(45-40(49)34-18-21-44-22-19-34)26-30-14-16-32-10-4-6-12-35(32)24-30/h1-17,24-25,34,37-38,44H,18-23,26-28H2,(H2,43,48)(H,45,49)(H,46,50)/t37-,38-/m1/s1
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n/an/an/an/a 0.340n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for GH release for effect on human GH secretagogue receptor


J Med Chem 41: 3103-27 (1998)


Article DOI: 10.1021/jm970342o
BindingDB Entry DOI: 10.7270/Q2D799KH
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412973
PNG
(CHEMBL519301)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C20H24FN3O4S/c1-13-4-7-19(28-13)16-6-5-15(11-17(16)21)29(26,27)24-9-2-3-18(24)20(25)23-10-8-14(22)12-23/h4-7,11,14,18H,2-3,8-10,12,22H2,1H3/t14-,18+/m1/s1
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50371688
PNG
(CHEMBL404545)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1)CC#N
Show InChI InChI=1S/C24H29N7O3/c1-24(2,26)23(32)27-21(17-33-15-18-9-5-3-6-10-18)22-28-29-30-31(22)19(13-14-25)16-34-20-11-7-4-8-12-20/h3-12,19,21H,13,15-17,26H2,1-2H3,(H,27,32)/t19-,21-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50371686
PNG
(CHEMBL271876)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccn1)CC#N
Show InChI InChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50235845
PNG
((S)-2-(5-(2-(2,4-difluorobenzyloxy)-1-(2-amino-2-m...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H31F2N7O5/c1-21(2,24)19(32)26-17(13-34-12-14-5-6-15(22)11-16(14)23)18-27-28-29-30(18)8-10-35-20(33)25-7-3-4-9-31/h5-6,11,17,31H,3-4,7-10,12-13,24H2,1-2H3,(H,25,33)(H,26,32)/t17-/m1/s1
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n/an/an/an/a 0.420n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50235842
PNG
((S)-2-(5-(2-(2-chlorobenzyloxy)-1-(2-amino-2-methy...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1Cl)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H32ClN7O5/c1-21(2,23)19(31)25-17(14-33-13-15-7-3-4-8-16(15)22)18-26-27-28-29(18)10-12-34-20(32)24-9-5-6-11-30/h3-4,7-8,17,30H,5-6,9-14,23H2,1-2H3,(H,24,32)(H,25,31)/t17-/m1/s1
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n/an/an/an/a 0.450n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410123
PNG
(CHEMBL180094)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H41N3O4/c1-20(2)31(21(3)4)18-16-30-27(33)26-25-14-13-24(35-23-11-9-8-10-12-23)19-22(25)15-17-32(26)28(34)36-29(5,6)7/h8-14,19-21,26H,15-18H2,1-7H3,(H,30,33)
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n/an/an/an/a 0.460n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vivo effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410123
PNG
(CHEMBL180094)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H41N3O4/c1-20(2)31(21(3)4)18-16-30-27(33)26-25-14-13-24(35-23-11-9-8-10-12-23)19-22(25)15-17-32(26)28(34)36-29(5,6)7/h8-14,19-21,26H,15-18H2,1-7H3,(H,30,33)
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n/an/an/an/a 0.460n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410108
PNG
(CHEMBL179823)
Show SMILES COc1cccc(Oc2ccc3C(N(CCc3c2)C(=O)OC(C)(C)C)C(=O)NCCN(C(C)C)C(C)C)c1
Show InChI InChI=1S/C30H43N3O5/c1-20(2)32(21(3)4)17-15-31-28(34)27-26-13-12-25(37-24-11-9-10-23(19-24)36-8)18-22(26)14-16-33(27)29(35)38-30(5,6)7/h9-13,18-21,27H,14-17H2,1-8H3,(H,31,34)
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n/an/an/an/a 0.460n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410114
PNG
(CHEMBL360547)
Show SMILES COc1ccc(Oc2ccc3C(N(CCc3c2)C(=O)OC(C)(C)C)C(=O)NCCN(C(C)C)C(C)C)cc1
Show InChI InChI=1S/C30H43N3O5/c1-20(2)32(21(3)4)18-16-31-28(34)27-26-14-13-25(37-24-11-9-23(36-8)10-12-24)19-22(26)15-17-33(27)29(35)38-30(5,6)7/h9-14,19-21,27H,15-18H2,1-8H3,(H,31,34)
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n/an/an/an/a 0.490n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vivo effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410123
PNG
(CHEMBL180094)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H41N3O4/c1-20(2)31(21(3)4)18-16-30-27(33)26-25-14-13-24(35-23-11-9-8-10-12-23)19-22(25)15-17-32(26)28(34)36-29(5,6)7/h8-14,19-21,26H,15-18H2,1-7H3,(H,30,33)
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n/an/an/an/a 0.490n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410114
PNG
(CHEMBL360547)
Show SMILES COc1ccc(Oc2ccc3C(N(CCc3c2)C(=O)OC(C)(C)C)C(=O)NCCN(C(C)C)C(C)C)cc1
Show InChI InChI=1S/C30H43N3O5/c1-20(2)32(21(3)4)18-16-31-28(34)27-26-14-13-25(37-24-11-9-23(36-8)10-12-24)19-22(26)15-17-33(27)29(35)38-30(5,6)7/h9-14,19-21,27H,15-18H2,1-8H3,(H,31,34)
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n/an/an/an/a 0.490n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50371697
PNG
(CHEMBL404336)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CC#N)\C=C\c1ccccc1
Show InChI InChI=1S/C25H29N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-14,21-22H,15,17-18,27H2,1-2H3,(H,28,33)/b14-13+/t21?,22-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412976
PNG
(CHEMBL480037)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C20H24FN3O5S/c1-12-2-5-19(29-12)16-4-3-15(9-17(16)21)30(27,28)24-11-14(25)8-18(24)20(26)23-7-6-13(22)10-23/h2-5,9,13-14,18,25H,6-8,10-11,22H2,1H3/t13-,14-,18+/m1/s1
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50235849
PNG
((4-hydroxy-butyl)-carbamic acid 2-{5-[(S)-1-(2-ami...)
Show SMILES Cc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H35N7O5/c1-16-8-4-5-9-17(16)14-33-15-18(25-20(31)22(2,3)23)19-26-27-28-29(19)11-13-34-21(32)24-10-6-7-12-30/h4-5,8-9,18,30H,6-7,10-15,23H2,1-3H3,(H,24,32)(H,25,31)/t18-/m1/s1
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n/an/an/an/a 0.510n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50376761
PNG
(CHEMBL411259)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCCCCO
Show InChI InChI=1S/C24H39N7O4/c1-24(2,25)23(34)27-20(18-35-17-19-11-6-5-7-12-19)22-28-29-30-31(22)15-10-13-21(33)26-14-8-3-4-9-16-32/h5-7,11-12,20,32H,3-4,8-10,13-18,25H2,1-2H3,(H,26,33)(H,27,34)/t20-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50438564
PNG
(CHEMBL2413152)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(C[C@H](O)c3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-18-17-30-22-10-6-4-7-19(18)22)25(34)32-13-11-28(12-14-32)16-24(33)20-8-3-5-9-21(20)28/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/t23-,24+/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at GHS-R1a (unknown origin)


Bioorg Med Chem 21: 5470-9 (2013)


Article DOI: 10.1016/j.bmc.2013.06.006
BindingDB Entry DOI: 10.7270/Q2VQ3446
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50187316
PNG
(1-{[(2R)-1-[(3R)-3-hydroxy-2,3-dihydrospiro[indene...)
Show SMILES CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(C[C@@H](O)c3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-18-17-30-22-10-6-4-7-19(18)22)25(34)32-13-11-28(12-14-32)16-24(33)20-8-3-5-9-21(20)28/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/p+1/t23-,24-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release


J Med Chem 49: 3077-85 (2006)


Article DOI: 10.1021/jm058053k
BindingDB Entry DOI: 10.7270/Q23B60ZT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50187316
PNG
(1-{[(2R)-1-[(3R)-3-hydroxy-2,3-dihydrospiro[indene...)
Show SMILES CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(C[C@@H](O)c3ccccc23)CC1
Show InChI InChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-18-17-30-22-10-6-4-7-19(18)22)25(34)32-13-11-28(12-14-32)16-24(33)20-8-3-5-9-21(20)28/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/p+1/t23-,24-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1


Bioorg Med Chem 15: 3054-64 (2007)


Article DOI: 10.1016/j.bmc.2007.01.057
BindingDB Entry DOI: 10.7270/Q25M66HV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19333
PNG
(N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1
Show InChI InChI=1S/C37H41N7O3/c1-46-28-13-11-26(34(20-28)47-2)23-44-35(14-12-25-21-39-31-9-5-3-7-29(25)31)42-43-36(44)33(41-37(45)24-15-17-38-18-16-24)19-27-22-40-32-10-6-4-8-30(27)32/h3-11,13,20-22,24,33,38-40H,12,14-19,23H2,1-2H3,(H,41,45)/t33-/m1/s1
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n/an/a 0.5n/a 0.600n/an/an/an/a



CNRS



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co...


J Med Chem 50: 5790-5806 (2007)


Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50371689
PNG
(CHEMBL256235)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(COc1ccccc1F)CC#N
Show InChI InChI=1S/C24H28FN7O3/c1-24(2,27)23(33)28-20(16-34-14-17-8-4-3-5-9-17)22-29-30-31-32(22)18(12-13-26)15-35-21-11-7-6-10-19(21)25/h3-11,18,20H,12,14-16,27H2,1-2H3,(H,28,33)/t18?,20-/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50235854
PNG
((S)-2-(5-(2-(2,3-dichlorobenzyloxy)-1-(2-amino-2-m...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1cccc(Cl)c1Cl)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H31Cl2N7O5/c1-21(2,24)19(32)26-16(13-34-12-14-6-5-7-15(22)17(14)23)18-27-28-29-30(18)9-11-35-20(33)25-8-3-4-10-31/h5-7,16,31H,3-4,8-13,24H2,1-2H3,(H,25,33)(H,26,32)/t16-/m1/s1
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n/an/an/an/a 0.610n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50376777
PNG
(CHEMBL410135)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCNC(=O)CCc1cccc(O)c1
Show InChI InChI=1S/C25H33N7O4/c1-25(2,26)24(35)28-21(17-36-16-19-7-4-3-5-8-19)23-29-30-31-32(23)14-13-27-22(34)12-11-18-9-6-10-20(33)15-18/h3-10,15,21,33H,11-14,16-17,26H2,1-2H3,(H,27,34)(H,28,35)/t21-/m1/s1
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n/an/an/an/a 0.640n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410135
PNG
(CHEMBL369329)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H40N4O6/c1-19(2)31(20(3)4)16-14-30-27(34)26-25-12-11-24(38-23-10-8-9-22(18-23)33(36)37)17-21(25)13-15-32(26)28(35)39-29(5,6)7/h8-12,17-20,26H,13-16H2,1-7H3,(H,30,34)
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n/an/an/an/a 0.660n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50376784
PNG
(CHEMBL411697)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCOCCO
Show InChI InChI=1S/C22H35N7O5/c1-22(2,23)21(32)25-18(16-34-15-17-7-4-3-5-8-17)20-26-27-28-29(20)11-6-9-19(31)24-10-13-33-14-12-30/h3-5,7-8,18,30H,6,9-16,23H2,1-2H3,(H,24,31)(H,25,32)/t18-/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50235840
PNG
((S)-2-(5-(2-(2-(trifluoromethyl)benzyloxy)-1-(2-am...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1C(F)(F)F)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H32F3N7O5/c1-21(2,26)19(34)28-17(14-36-13-15-7-3-4-8-16(15)22(23,24)25)18-29-30-31-32(18)10-12-37-20(35)27-9-5-6-11-33/h3-4,7-8,17,33H,5-6,9-14,26H2,1-2H3,(H,27,35)(H,28,34)/t17-/m1/s1
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n/an/an/an/a 0.720n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50410131
PNG
(CHEMBL178900)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3ccc(Cl)cc3)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H40ClN3O4/c1-19(2)32(20(3)4)17-15-31-27(34)26-25-13-12-24(36-23-10-8-22(30)9-11-23)18-21(25)14-16-33(26)28(35)37-29(5,6)7/h8-13,18-20,26H,14-17H2,1-7H3,(H,31,34)
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n/an/an/an/a 0.730n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50412955
PNG
(CHEMBL407706)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(C)o1)N1C[C@H](C)N[C@H](C)C1
Show InChI InChI=1S/C24H29N3O4S/c1-16-14-27(15-17(2)25-16)20-8-12-24(30-4)22(13-20)26-32(28,29)21-9-6-19(7-10-21)23-11-5-18(3)31-23/h5-13,16-17,25-26H,14-15H2,1-4H3/t16-,17+
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50187330
PNG
((R)-N,5-dimethyl-N-(1-(methyl(2-(thiophen-2-yl)eth...)
Show SMILES CNC(C)(C)C\C=C\C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1
Show InChI InChI=1S/C29H37N3O2S/c1-29(2,30-3)17-8-13-27(33)32(5)26(28(34)31(4)18-16-25-12-9-19-35-25)21-22-14-15-23-10-6-7-11-24(23)20-22/h6-15,19-20,26,30H,16-18,21H2,1-5H3/b13-8+/t26-/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release


J Med Chem 49: 3077-85 (2006)


Article DOI: 10.1021/jm058053k
BindingDB Entry DOI: 10.7270/Q23B60ZT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50187330
PNG
((R)-N,5-dimethyl-N-(1-(methyl(2-(thiophen-2-yl)eth...)
Show SMILES CNC(C)(C)C\C=C\C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1cccs1
Show InChI InChI=1S/C29H37N3O2S/c1-29(2,30-3)17-8-13-27(33)32(5)26(28(34)31(4)18-16-25-12-9-19-35-25)21-22-14-15-23-10-6-7-11-24(23)20-22/h6-15,19-20,26,30H,16-18,21H2,1-5H3/b13-8+/t26-/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1


Bioorg Med Chem 15: 3054-64 (2007)


Article DOI: 10.1016/j.bmc.2007.01.057
BindingDB Entry DOI: 10.7270/Q25M66HV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50371695
PNG
(CHEMBL403180)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1C(CCc1ccccc1)CC#N
Show InChI InChI=1S/C25H31N7O2/c1-25(2,27)24(33)28-22(18-34-17-20-11-7-4-8-12-20)23-29-30-31-32(23)21(15-16-26)14-13-19-9-5-3-6-10-19/h3-12,21-22H,13-15,17-18,27H2,1-2H3,(H,28,33)/t21?,22-/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50206794
PNG
(1-((R)-1-((S)-3-benzyl-3-(ethylcarbamoyl)piperidin...)
Show SMILES CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+]
Show InChI InChI=1S/C30H39N5O3/c1-4-32-28(38)30(18-21-11-6-5-7-12-21)15-10-16-35(20-30)26(36)25(34-27(37)29(2,3)31)17-22-19-33-24-14-9-8-13-23(22)24/h5-9,11-14,19,25,33H,4,10,15-18,20,31H2,1-3H3,(H,32,38)(H,34,37)/p+1/t25-,30+/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1


Bioorg Med Chem 15: 3054-64 (2007)


Article DOI: 10.1016/j.bmc.2007.01.057
BindingDB Entry DOI: 10.7270/Q25M66HV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50422861
PNG
(CHEMBL2304221)
Show SMILES CCNC(O)[C@@]1(Cc2ccccc2)CCCN(C1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C30H41N5O3/c1-4-32-28(38)30(18-21-11-6-5-7-12-21)15-10-16-35(20-30)26(36)25(34-27(37)29(2,3)31)17-22-19-33-24-14-9-8-13-23(22)24/h5-9,11-14,19,25,28,32-33,38H,4,10,15-18,20,31H2,1-3H3,(H,34,37)/t25-,28?,30-/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Activity at human GHS-R1a receptor in rat pitutary cells assessed as GH release


J Med Chem 49: 3077-85 (2006)


Article DOI: 10.1021/jm058053k
BindingDB Entry DOI: 10.7270/Q23B60ZT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165586
PNG
(CHEMBL3798559)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1
Show InChI InChI=1S/C48H62N10O5/c1-28(2)21-41(52-30(5)59)45(60)54-42(22-29(3)4)46(61)53-39(23-32-25-50-37-15-11-9-13-35(32)37)43-56-57-44(58(43)27-31-17-19-34(63-8)20-18-31)40(55-47(62)48(6,7)49)24-33-26-51-38-16-12-10-14-36(33)38/h9-20,25-26,28-29,39-42,50-51H,21-24,27,49H2,1-8H3,(H,52,59)(H,53,61)(H,54,60)(H,55,62)/t39-,40-,41+,42+/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1a expressed in HEK293T cells after 45 mins by HTRF-based IP3 turnover assay


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
Ghrelin receptor


(Homo sapiens (human))
BDBM50410124
PNG
(CHEMBL179785)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(OCc3ccccc3)ccc12)C(=O)OC(C)(C)C(=O)N(C)C)C(C)C
Show InChI InChI=1S/C32H46N4O5/c1-22(2)35(23(3)4)19-17-33-29(37)28-27-15-14-26(40-21-24-12-10-9-11-13-24)20-25(27)16-18-36(28)31(39)41-32(5,6)30(38)34(7)8/h9-15,20,22-23,28H,16-19,21H2,1-8H3,(H,33,37)
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n/an/an/an/a 0.850n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50376775
PNG
(CHEMBL262358)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOc1ccccc1C(=O)NCCCCO
Show InChI InChI=1S/C27H37N7O5/c1-27(2,28)26(37)30-22(19-38-18-20-10-4-3-5-11-20)24-31-32-33-34(24)15-17-39-23-13-7-6-12-21(23)25(36)29-14-8-9-16-35/h3-7,10-13,22,35H,8-9,14-19,28H2,1-2H3,(H,29,36)(H,30,37)/t22-/m1/s1
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n/an/an/an/a 0.900n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50243636
PNG
((R)-2-amino-N-(1-(1-(2-cyanoethyl)-1H-tetrazol-5-y...)
Show SMILES CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCC#N
Show InChI InChI=1S/C18H23F2N7O/c1-17(2,22)16(28)23-14(15-24-25-26-27(15)12-6-11-21)9-10-18(19,20)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-10,12,22H2,1-2H3,(H,23,28)/t14-/m1/s1
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n/an/an/an/a 0.900n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


Bioorg Med Chem Lett 18: 4072-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.100
BindingDB Entry DOI: 10.7270/Q2DR2WF8
More data for this
Ligand-Target Pair
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