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Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'galleyrand' and Initial = 'jc'   
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))
BDBM19331
PNG
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1
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n/an/a 0.300n/a 3n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19331
PNG
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19331
PNG
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Antagonist activity at human GHSR1a receptor expressed in CHO cells assessed as reduction of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19332
PNG
(N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)m...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C34H38N6O2/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/h2-12,14-15,22,26,31,35-36H,13,16-21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 0.600n/a 1.60n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19331
PNG
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232281
PNG
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C33H30N6O2/c1-41-25-17-14-24(15-18-25)22-39-30(19-16-23-9-3-2-4-10-23)37-38-32(39)31(36-33(40)29-13-7-8-20-34-29)27-21-35-28-12-6-5-11-26(27)28/h2-15,17-18,20-21,31,35H,16,19,22H2,1H3,(H,36,40)/t31-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
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Article
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n/an/a 0.760n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19334
PNG
(N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-(2-ph...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 |r|
Show InChI InChI=1S/C35H40N6O3/c1-43-28-14-13-26(32(21-28)44-2)23-41-33(15-12-24-8-4-3-5-9-24)39-40-34(41)31(38-35(42)25-16-18-36-19-17-25)20-27-22-37-30-11-7-6-10-29(27)30/h3-11,13-14,21-22,25,31,36-37H,12,15-20,23H2,1-2H3,(H,38,42)/t31-/m1/s1
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n/an/a 0.900n/a 6.10n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232297
PNG
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1
Show InChI InChI=1S/C34H32N6O3/c1-42-25-17-16-24(30(20-25)43-2)22-40-31(18-15-23-10-4-3-5-11-23)38-39-33(40)32(37-34(41)29-14-8-9-19-35-29)27-21-36-28-13-7-6-12-26(27)28/h3-14,16-17,19-21,32,36H,15,18,22H2,1-2H3,(H,37,41)/t32-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50125888
PNG
(CHEMBL282891 | Piperidine-4-carboxylic acid [1-[(R...)
Show SMILES O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1
Show InChI InChI=1S/C28H32N6O3/c35-17-32-26(14-20-16-31-24-8-4-2-6-22(20)24)34-28(37)25(33-27(36)18-9-11-29-12-10-18)13-19-15-30-23-7-3-1-5-21(19)23/h1-8,15-18,25-26,29-31H,9-14H2,(H,32,35)(H,33,36)(H,34,37)/t25-,26-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232283
PNG
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethox...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1
Show InChI InChI=1S/C36H33N7O3/c1-45-25-16-14-24(32(19-25)46-2)22-43-33(17-15-23-20-38-29-11-5-3-9-26(23)29)41-42-35(43)34(40-36(44)31-13-7-8-18-37-31)28-21-39-30-12-6-4-10-27(28)30/h3-14,16,18-21,34,38-39H,15,17,22H2,1-2H3,(H,40,44)/t34-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50227177
PNG
((R)-pyridin-2-yl 1-(5-(2-(1H-indol-3-yl)ethyl)-4-(...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccn2)cc1
Show InChI InChI=1S/C36H33N7O3/c1-45-27-16-13-24(14-17-27)23-43-33(18-15-25-21-38-30-10-4-2-8-28(25)30)41-42-35(43)32(40-36(44)46-34-12-6-7-19-37-34)20-26-22-39-31-11-5-3-9-29(26)31/h2-14,16-17,19,21-22,32,38-39H,15,18,20,23H2,1H3,(H,40,44)/t32-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232270
PNG
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxyben...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C35H31N7O2/c1-44-25-16-13-23(14-17-25)22-42-32(18-15-24-20-37-29-10-4-2-8-26(24)29)40-41-34(42)33(39-35(43)31-12-6-7-19-36-31)28-21-38-30-11-5-3-9-27(28)30/h2-14,16-17,19-21,33,37-38H,15,18,22H2,1H3,(H,39,43)/t33-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232266
PNG
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-27-17-14-25(15-18-27)23-40-31(19-16-24-9-3-2-4-10-24)38-39-34(40)33(29-22-36-30-13-6-5-12-28(29)30)37-32(41)21-26-11-7-8-20-35-26/h2-15,17-18,20,22,33,36H,16,19,21,23H2,1H3,(H,37,41)/t33-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232295
PNG
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1
Show InChI InChI=1S/C33H31N7O3/c1-42-24-14-13-23(29(18-24)43-2)21-40-30(15-12-22-8-4-3-5-9-22)38-39-32(40)31(37-33(41)28-20-34-16-17-35-28)26-19-36-27-11-7-6-10-25(26)27/h3-11,13-14,16-20,31,36H,12,15,21H2,1-2H3,(H,37,41)/t31-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19312
PNG
((2S)-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 |r|
Show InChI InChI=1S/C36H39N7O3/c1-45-26-15-13-24(33(19-26)46-2)22-43-34(16-14-23-20-38-29-10-5-3-8-27(23)29)41-42-35(43)32(40-36(44)31-12-7-17-37-31)18-25-21-39-30-11-6-4-9-28(25)30/h3-6,8-11,13,15,19-21,31-32,37-39H,7,12,14,16-18,22H2,1-2H3,(H,40,44)/t31-,32+/m0/s1
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n/an/a 5.60 11n/an/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19312
PNG
((2S)-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 |r|
Show InChI InChI=1S/C36H39N7O3/c1-45-26-15-13-24(33(19-26)46-2)22-43-34(16-14-23-20-38-29-10-5-3-8-27(23)29)41-42-35(43)32(40-36(44)31-12-7-17-37-31)18-25-21-39-30-11-6-4-9-28(25)30/h3-6,8-11,13,15,19-21,31-32,37-39H,7,12,14,16-18,22H2,1-2H3,(H,40,44)/t31-,32+/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19294
PNG
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indo...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r|
Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-11-7-5-9-27(24)29)32-40-39-31(41(32)21-22-12-15-25(43-3)16-13-22)17-14-23-19-36-28-10-6-4-8-26(23)28/h4-13,15-16,19-20,30,36-37H,14,17-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19294
PNG
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indo...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r|
Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-11-7-5-9-27(24)29)32-40-39-31(41(32)21-22-12-15-25(43-3)16-13-22)17-14-23-19-36-28-10-6-4-8-26(23)28/h4-13,15-16,19-20,30,36-37H,14,17-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19294
PNG
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indo...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r|
Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-11-7-5-9-27(24)29)32-40-39-31(41(32)21-22-12-15-25(43-3)16-13-22)17-14-23-19-36-28-10-6-4-8-26(23)28/h4-13,15-16,19-20,30,36-37H,14,17-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1
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n/an/a 6 4n/an/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19349
PNG
(N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)m...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCOCC2)cc1 |r|
Show InChI InChI=1S/C34H37N5O3/c1-41-28-14-11-25(12-15-28)23-39-32(16-13-24-7-3-2-4-8-24)37-38-33(39)31(36-34(40)26-17-19-42-20-18-26)21-27-22-35-30-10-6-5-9-29(27)30/h2-12,14-15,22,26,31,35H,13,16-21,23H2,1H3,(H,36,40)/t31-/m1/s1
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n/an/a 6 51n/an/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19294
PNG
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indo...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r|
Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-11-7-5-9-27(24)29)32-40-39-31(41(32)21-22-12-15-25(43-3)16-13-22)17-14-23-19-36-28-10-6-4-8-26(23)28/h4-13,15-16,19-20,30,36-37H,14,17-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



CNRS-Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells


J Med Chem 50: 1939-57 (2007)


Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19318
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)C2CCCNC2)c(OC)c1 |r|
Show InChI InChI=1S/C37H41N7O3/c1-46-28-15-13-26(34(19-28)47-2)23-44-35(16-14-24-21-39-31-11-5-3-9-29(24)31)42-43-36(44)33(41-37(45)25-8-7-17-38-20-25)18-27-22-40-32-12-6-4-10-30(27)32/h3-6,9-13,15,19,21-22,25,33,38-40H,7-8,14,16-18,20,23H2,1-2H3,(H,41,45)/t25?,33-/m1/s1
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n/an/a 6.5n/a 5.30n/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19323
PNG
((3R)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC2)cc1 |r|
Show InChI InChI=1S/C34H38N6O2/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/h2-6,8-9,11-14,16-17,22,26,31,35-36H,7,10,15,18-21,23H2,1H3,(H,37,41)/t26-,31-/m1/s1
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n/an/a 7n/a 36n/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50227171
PNG
((S)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxyb...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232274
PNG
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxyben...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C36H33N7O2/c1-45-27-16-13-24(14-17-27)23-43-33(18-15-25-21-38-31-11-4-2-9-28(25)31)41-42-36(43)35(30-22-39-32-12-5-3-10-29(30)32)40-34(44)20-26-8-6-7-19-37-26/h2-14,16-17,19,21-22,35,38-39H,15,18,20,23H2,1H3,(H,40,44)/t35-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50227180
PNG
((R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxyb...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C36H33N7O2/c1-45-27-16-13-24(14-17-27)23-43-34(18-15-25-21-38-30-10-4-2-8-28(25)30)41-42-35(43)33(40-36(44)32-12-6-7-19-37-32)20-26-22-39-31-11-5-3-9-29(26)31/h2-14,16-17,19,21-22,33,38-39H,15,18,20,23H2,1H3,(H,40,44)/t33-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19308
PNG
((2S)-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C35H37N7O2/c1-44-26-15-12-23(13-16-26)22-42-33(17-14-24-20-37-29-9-4-2-7-27(24)29)40-41-34(42)32(39-35(43)31-11-6-18-36-31)19-25-21-38-30-10-5-3-8-28(25)30/h2-5,7-10,12-13,15-16,20-21,31-32,36-38H,6,11,14,17-19,22H2,1H3,(H,39,43)/t31-,32+/m0/s1
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n/an/a 9 6n/an/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50227167
PNG
((S)-N-((R)-1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-meth...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2)cc1 |w:37.41|
Show InChI InChI=1S/C35H37N7O2/c1-44-26-15-12-23(13-16-26)22-42-33(17-14-24-20-37-29-9-4-2-7-27(24)29)40-41-34(42)32(39-35(43)31-11-6-18-36-31)19-25-21-38-30-10-5-3-8-28(25)30/h2-5,7-10,12-13,15-16,20-21,31-32,36-38H,6,11,14,17-19,22H2,1H3,(H,39,43)/t31?,32-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19310
PNG
((2S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 |r|
Show InChI InChI=1S/C33H36N6O2/c1-41-26-16-13-24(14-17-26)22-39-31(18-15-23-8-3-2-4-9-23)37-38-32(39)30(36-33(40)29-12-7-19-34-29)20-25-21-35-28-11-6-5-10-27(25)28/h2-6,8-11,13-14,16-17,21,29-30,34-35H,7,12,15,18-20,22H2,1H3,(H,36,40)/t29-,30+/m0/s1
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n/an/a 9.5 13n/an/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19321
PNG
((3S)-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indol-3...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 |r|
Show InChI InChI=1S/C36H39N7O2/c1-45-28-15-12-24(13-16-28)23-43-34(17-14-25-21-38-31-10-4-2-8-29(25)31)41-42-35(43)33(40-36(44)26-7-6-18-37-20-26)19-27-22-39-32-11-5-3-9-30(27)32/h2-5,8-13,15-16,21-22,26,33,37-39H,6-7,14,17-20,23H2,1H3,(H,40,44)/t26-,33+/m0/s1
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n/an/a 10n/a 2.5n/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50208662
PNG
((R)-N-(1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
Show InChI InChI=1S/C32H36N6O2/c1-32(2,33)31(39)35-28(19-24-20-34-27-12-8-7-11-26(24)27)30-37-36-29(18-15-22-9-5-4-6-10-22)38(30)21-23-13-16-25(40-3)17-14-23/h4-14,16-17,20,28,34H,15,18-19,21,33H2,1-3H3,(H,35,39)/t28-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19326
PNG
((2S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)cc1 |r|
Show InChI InChI=1S/C34H38N6O2/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/h2-6,9-12,14-15,17-18,22,30-31,35-36H,7-8,13,16,19-21,23H2,1H3,(H,37,41)/t30-,31+/m0/s1
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n/an/a 11 27n/an/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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50208646
PNG
((R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-phenethyl-...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1
Show InChI InChI=1S/C35H39N7O/c1-35(2,36)34(43)39-31(21-26-23-38-30-17-9-7-15-28(26)30)33-41-40-32(42(33)20-19-24-11-4-3-5-12-24)18-10-13-25-22-37-29-16-8-6-14-27(25)29/h3-9,11-12,14-17,22-23,31,37-38H,10,13,18-21,36H2,1-2H3,(H,39,43)/t31-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



CNRS-Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells


J Med Chem 50: 1939-57 (2007)


Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232264
PNG
(CHEMBL249638 | N-((R)-(4-(4-methoxybenzyl)-5-phene...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C31H34N6O2/c1-31(2,32)30(38)34-28(25-19-33-26-12-8-7-11-24(25)26)29-36-35-27(18-15-21-9-5-4-6-10-21)37(29)20-22-13-16-23(39-3)17-14-22/h4-14,16-17,19,28,33H,15,18,20,32H2,1-3H3,(H,34,38)/t28-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50208662
PNG
((R)-N-(1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
Show InChI InChI=1S/C32H36N6O2/c1-32(2,33)31(39)35-28(19-24-20-34-27-12-8-7-11-26(24)27)30-37-36-29(18-15-22-9-5-4-6-10-22)38(30)21-23-13-16-25(40-3)17-14-23/h4-14,16-17,20,28,34H,15,18-19,21,33H2,1-3H3,(H,35,39)/t28-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



CNRS-Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells


J Med Chem 50: 1939-57 (2007)


Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232263
PNG
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1
Show InChI InChI=1S/C35H33N5O3/c1-42-27-19-18-26(31(21-27)43-2)23-40-32(20-17-24-11-5-3-6-12-24)38-39-34(40)33(37-35(41)25-13-7-4-8-14-25)29-22-36-30-16-10-9-15-28(29)30/h3-16,18-19,21-22,33,36H,17,20,23H2,1-2H3,(H,37,41)/t33-/m1/s1
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n/an/a 11.8n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50208678
PNG
((R)-N-(1-(4-(4-methoxybenzyl)-5-(3-phenylpropyl)-4...)
Show SMILES COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
Show InChI InChI=1S/C33H38N6O2/c1-33(2,34)32(40)36-29(20-25-21-35-28-14-8-7-13-27(25)28)31-38-37-30(15-9-12-23-10-5-4-6-11-23)39(31)22-24-16-18-26(41-3)19-17-24/h4-8,10-11,13-14,16-19,21,29,35H,9,12,15,20,22,34H2,1-3H3,(H,36,40)/t29-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



CNRS-Université Montpellier I

Curated by ChEMBL


Assay Description
Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells


Bioorg Med Chem Lett 18: 164-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.113
BindingDB Entry DOI: 10.7270/Q2HM586C
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50125889
PNG
(CHEMBL214233 | Tyr-Ala-hexarelin)
Show SMILES CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@H](Cc1c(C)[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)NC(CCCCN)C(N)=O
Show InChI InChI=1S/C59H72N14O9/c1-33-43(42-16-8-10-18-46(42)66-33)29-51(73-59(82)50(28-39-31-63-32-65-39)71-53(76)34(2)67-55(78)44(61)25-37-20-22-40(74)23-21-37)56(79)68-35(3)54(77)70-49(27-38-30-64-45-17-9-7-15-41(38)45)58(81)72-48(26-36-13-5-4-6-14-36)57(80)69-47(52(62)75)19-11-12-24-60/h4-10,13-18,20-23,30-32,34-35,44,47-51,64,66,74H,11-12,19,24-29,60-61H2,1-3H3,(H2,62,75)(H,63,65)(H,67,78)(H,68,79)(H,69,80)(H,70,77)(H,71,76)(H,72,81)(H,73,82)/t34?,35?,44?,47?,48-,49?,50?,51-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50208678
PNG
((R)-N-(1-(4-(4-methoxybenzyl)-5-(3-phenylpropyl)-4...)
Show SMILES COc1ccc(Cn2c(CCCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
Show InChI InChI=1S/C33H38N6O2/c1-33(2,34)32(40)36-29(20-25-21-35-28-14-8-7-13-27(25)28)31-38-37-30(15-9-12-23-10-5-4-6-11-23)39(31)22-24-16-18-26(41-3)19-17-24/h4-8,10-11,13-14,16-19,21,29,35H,9,12,15,20,22,34H2,1-3H3,(H,36,40)/t29-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



CNRS-Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells


J Med Chem 50: 1939-57 (2007)


Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19319
PNG
(N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1 |r|
Show InChI InChI=1S/C35H37N7O/c43-35(26-11-8-18-36-20-26)39-32(19-27-22-38-31-15-7-5-13-29(27)31)34-41-40-33(42(34)23-24-9-2-1-3-10-24)17-16-25-21-37-30-14-6-4-12-28(25)30/h1-7,9-10,12-15,21-22,26,32,36-38H,8,11,16-20,23H2,(H,39,43)/t26?,32-/m1/s1
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n/an/a 13n/a 9.90n/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50232268
PNG
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C32H29N7O2/c1-41-24-14-11-23(12-15-24)21-39-29(16-13-22-7-3-2-4-8-22)37-38-31(39)30(36-32(40)28-20-33-17-18-34-28)26-19-35-27-10-6-5-9-25(26)27/h2-12,14-15,17-20,30,35H,13,16,21H2,1H3,(H,36,40)/t30-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50208670
PNG
((R)-N-(1-(4-(2-(1H-indol-3-yl)ethyl)-5-(3-(1H-indo...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C37H40N8O/c1-37(2,38)36(46)42-33(20-26-23-41-32-16-8-5-13-29(26)32)35-44-43-34(17-9-10-24-21-39-30-14-6-3-11-27(24)30)45(35)19-18-25-22-40-31-15-7-4-12-28(25)31/h3-8,11-16,21-23,33,39-41H,9-10,17-20,38H2,1-2H3,(H,42,46)/t33-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



CNRS-Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells


J Med Chem 50: 1939-57 (2007)


Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19293
PNG
((R)-N-(1-(5-(2-(1H-Indol-3-yl)ethyl)-4-benzyl-4H-1...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 |r|
Show InChI InChI=1S/C33H35N7O/c1-33(2,34)32(41)37-29(18-24-20-36-28-15-9-7-13-26(24)28)31-39-38-30(40(31)21-22-10-4-3-5-11-22)17-16-23-19-35-27-14-8-6-12-25(23)27/h3-15,19-20,29,35-36H,16-18,21,34H2,1-2H3,(H,37,41)/t29-/m1/s1
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n/an/a 15n/a 64n/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19293
PNG
((R)-N-(1-(5-(2-(1H-Indol-3-yl)ethyl)-4-benzyl-4H-1...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 |r|
Show InChI InChI=1S/C33H35N7O/c1-33(2,34)32(41)37-29(18-24-20-36-28-15-9-7-13-26(24)28)31-39-38-30(40(31)21-22-10-4-3-5-11-22)17-16-23-19-35-27-14-8-6-12-25(23)27/h3-15,19-20,29,35-36H,16-18,21,34H2,1-2H3,(H,37,41)/t29-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



CNRS-Universités Montpellier I et II

Curated by ChEMBL


Assay Description
Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells


J Med Chem 50: 1939-57 (2007)


Article DOI: 10.1021/jm070024h
BindingDB Entry DOI: 10.7270/Q2251HW6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM19322
PNG
((3S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphe...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 |r|
Show InChI InChI=1S/C34H38N6O2/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/h2-6,8-9,11-14,16-17,22,26,31,35-36H,7,10,15,18-21,23H2,1H3,(H,37,41)/t26-,31+/m0/s1
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n/an/a 16 10n/an/an/a7.325



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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50125877
PNG
(CHEMBL281173 | [(S)-1-[(R)-2-(2-Amino-2-methyl-pro...)
Show SMILES CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H34N6O4/c1-4-38-27(37)34-24(14-18-16-31-22-12-8-6-10-20(18)22)33-25(35)23(32-26(36)28(2,3)29)13-17-15-30-21-11-7-5-9-19(17)21/h5-12,15-16,23-24,30-31H,4,13-14,29H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)/t23-,24+/m1/s1
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n/an/a 16.2n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
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