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PubMed code 12646029

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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))		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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MCE
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PDB
Article
PubMed
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))		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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PubMed
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))		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))		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))		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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50125881
PNG
(2-Amino-N-[1-[(R)-(S)-1-(3-ethyl-ureido)-2-(1H-ind...)
Show SMILES CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N7O3/c1-4-30-27(38)35-24(14-18-16-32-22-12-8-6-10-20(18)22)34-25(36)23(33-26(37)28(2,3)29)13-17-15-31-21-11-7-5-9-19(17)21/h5-12,15-16,23-24,31-32H,4,13-14,29H2,1-3H3,(H,33,37)(H,34,36)(H2,30,35,38)/t23-,24+/m1/s1
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n/an/a 16.9n/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))		BDBM50370294
PNG
(Examorelin | HEXARELIN | US9708370, Hexareline)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C47H58N12O6/c1-27-34(33-15-7-9-17-37(33)54-27)23-41(58-44(62)35(49)22-31-25-51-26-53-31)45(63)55-28(2)43(61)57-40(21-30-24-52-36-16-8-6-14-32(30)36)47(65)59-39(20-29-12-4-3-5-13-29)46(64)56-38(42(50)60)18-10-11-19-48/h3-9,12-17,24-26,28,35,38-41,52,54H,10-11,18-23,48-49H2,1-2H3,(H2,50,60)(H,51,53)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,59,65)/t28-,35-,38-,39+,40-,41+/m0/s1
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n/an/a 18n/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))		BDBM50125894
PNG
(CHEMBL279822 | N-[1-[(R)-(R)-1-Acetylamino-2-(1H-i...)
Show SMILES CN(C)C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C29H36N6O3/c1-18(36)32-26(15-20-17-31-24-13-9-7-11-22(20)24)34-27(37)25(33-28(38)29(2,3)35(4)5)14-19-16-30-23-12-8-6-10-21(19)23/h6-13,16-17,25-26,30-31H,14-15H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t25-,26-/m1/s1
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n/an/a 20.1n/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))		BDBM50125885
PNG
(CHEMBL417092 | Piperidine-2-carboxylic acid [(R)-1...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1
Show InChI InChI=1S/C31H39N7O3/c1-31(2,32)30(41)36-26(15-19-17-34-23-11-5-3-9-21(19)23)29(40)38-27(37-28(39)25-13-7-8-14-33-25)16-20-18-35-24-12-6-4-10-22(20)24/h3-6,9-12,17-18,25-27,33-35H,7-8,13-16,32H2,1-2H3,(H,36,41)(H,37,39)(H,38,40)/t25?,26-,27-/m1/s1
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n/an/a 21.5n/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))		BDBM50125879
PNG
(CHEMBL281578 | N-{(R)-1-[(R)-1-Formylamino-2-(1H-i...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
Show InChI InChI=1S/C27H32N6O3/c1-27(2,28-3)26(36)32-23(12-17-14-29-21-10-6-4-8-19(17)21)25(35)33-24(31-16-34)13-18-15-30-22-11-7-5-9-20(18)22/h4-11,14-16,23-24,28-30H,12-13H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-/m1/s1
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n/an/a 22.7n/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))		BDBM50125886
PNG
(2-Amino-N-{(R)-1-[(R)-1-formylamino-2-(1H-indol-3-...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
Show InChI InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1
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n/an/a 22.9n/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))		BDBM50125890
PNG
(CHEMBL275660 | N-[1-{(R)-[(R)-1-Acetylamino-2-(1H-...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C29H36N6O3/c1-18(36)33-26(15-20-17-32-24-13-9-7-11-22(20)24)35(5)27(37)25(34-28(38)29(2,3)30-4)14-19-16-31-23-12-8-6-10-21(19)23/h6-13,16-17,25-26,30-32H,14-15H2,1-5H3,(H,33,36)(H,34,38)/t25-,26-/m1/s1
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n/an/a 25.6n/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))		BDBM50125890
PNG
(CHEMBL275660 | N-[1-{(R)-[(R)-1-Acetylamino-2-(1H-...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C29H36N6O3/c1-18(36)33-26(15-20-17-32-24-13-9-7-11-22(20)24)35(5)27(37)25(34-28(38)29(2,3)30-4)14-19-16-31-23-12-8-6-10-21(19)23/h6-13,16-17,25-26,30-32H,14-15H2,1-5H3,(H,33,36)(H,34,38)/t25-,26-/m1/s1
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n/an/a 29.5n/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))		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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n/an/a 32n/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		3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50125879
PNG
(CHEMBL281578 | N-{(R)-1-[(R)-1-Formylamino-2-(1H-i...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
Show InChI InChI=1S/C27H32N6O3/c1-27(2,28-3)26(36)32-23(12-17-14-29-21-10-6-4-8-19(17)21)25(35)33-24(31-16-34)13-18-15-30-22-11-7-5-9-20(18)22/h4-11,14-16,23-24,28-30H,12-13H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-/m1/s1
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n/an/a 39n/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))		BDBM50125880
PNG
(CHEMBL18725 | N-{(R)-1-[(R)-1-Acetylamino-2-(1H-in...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C28H34N6O3/c1-17(35)32-25(14-19-16-31-23-12-8-6-10-21(19)23)34-26(36)24(33-27(37)28(2,3)29-4)13-18-15-30-22-11-7-5-9-20(18)22/h5-12,15-16,24-25,29-31H,13-14H2,1-4H3,(H,32,35)(H,33,37)(H,34,36)/t24-,25-/m1/s1
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n/an/a 58n/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))		BDBM50125893
PNG
(CHEMBL276137 | N-[(R)-1-[(R)-2-(2-Amino-2-methyl-p...)
Show SMILES CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C30H38N6O3/c1-18(2)13-27(37)35-26(15-20-17-33-24-12-8-6-10-22(20)24)36-28(38)25(34-29(39)30(3,4)31)14-19-16-32-23-11-7-5-9-21(19)23/h5-12,16-18,25-26,32-33H,13-15,31H2,1-4H3,(H,34,39)(H,35,37)(H,36,38)/t25-,26-/m1/s1
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n/an/a 59.8n/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))		BDBM50125880
PNG
(CHEMBL18725 | N-{(R)-1-[(R)-1-Acetylamino-2-(1H-in...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C28H34N6O3/c1-17(35)32-25(14-19-16-31-23-12-8-6-10-21(19)23)34-26(36)24(33-27(37)28(2,3)29-4)13-18-15-30-22-11-7-5-9-20(18)22/h5-12,15-16,24-25,29-31H,13-14H2,1-4H3,(H,32,35)(H,33,37)(H,34,36)/t24-,25-/m1/s1
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n/an/a 74n/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))		BDBM50125885
PNG
(CHEMBL417092 | Piperidine-2-carboxylic acid [(R)-1...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCN1
Show InChI InChI=1S/C31H39N7O3/c1-31(2,32)30(41)36-26(15-19-17-34-23-11-5-3-9-21(19)23)29(40)38-27(37-28(39)25-13-7-8-14-33-25)16-20-18-35-24-12-6-4-10-22(20)24/h3-6,9-12,17-18,25-27,33-35H,7-8,13-16,32H2,1-2H3,(H,36,41)(H,37,39)(H,38,40)/t25?,26-,27-/m1/s1
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n/an/a 116n/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))		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 122n/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))		BDBM50125886
PNG
(2-Amino-N-{(R)-1-[(R)-1-formylamino-2-(1H-indol-3-...)
Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
Show InChI InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1
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n/an/a 123n/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))		BDBM50125881
PNG
(2-Amino-N-[1-[(R)-(S)-1-(3-ethyl-ureido)-2-(1H-ind...)
Show SMILES CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H35N7O3/c1-4-30-27(38)35-24(14-18-16-32-22-12-8-6-10-20(18)22)34-25(36)23(33-26(37)28(2,3)29)13-17-15-31-21-11-7-5-9-19(17)21/h5-12,15-16,23-24,31-32H,4,13-14,29H2,1-3H3,(H,33,37)(H,34,36)(H2,30,35,38)/t23-,24+/m1/s1
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n/an/a 162n/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))		BDBM50125891
PNG
(CHEMBL18853 | N-{2-(1H-Indol-3-yl)-1-[(R)-(R)-2-(1...)
Show SMILES CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC
Show InChI InChI=1S/C29H36N6O3/c1-5-26(36)34-25(15-19-17-32-23-13-9-7-11-21(19)23)35-27(37)24(33-28(38)29(2,3)30-4)14-18-16-31-22-12-8-6-10-20(18)22/h6-13,16-17,24-25,30-32H,5,14-15H2,1-4H3,(H,33,38)(H,34,36)(H,35,37)/t24-,25-/m1/s1
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n/an/a 167n/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))		BDBM50125892
PNG
(2-Amino-N-{2-(1H-indol-3-yl)-1-[(R)-(R)-2-(1H-indo...)
Show SMILES CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H34N6O3/c1-4-25(35)33-24(14-18-16-31-22-12-8-6-10-20(18)22)34-26(36)23(32-27(37)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,32,37)(H,33,35)(H,34,36)/t23-,24-/m1/s1
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n/an/a 185n/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))		BDBM50125878
PNG
(CHEMBL274460 | N-{(R)-2-(1H-Indol-3-yl)-1-[(R)-3-(...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C
Show InChI InChI=1S/C31H40N6O3/c1-19(2)14-28(38)36-27(16-21-18-34-25-13-9-7-11-23(21)25)37-29(39)26(35-30(40)31(3,4)32-5)15-20-17-33-24-12-8-6-10-22(20)24/h6-13,17-19,26-27,32-34H,14-16H2,1-5H3,(H,35,40)(H,36,38)(H,37,39)/t26-,27-/m1/s1
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n/an/a 213n/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))		BDBM50125882
PNG
(CHEMBL19220 | N-{(R)-1-[(R)-1-Acetylamino-2-(1H-in...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C27H32N6O3/c1-16(34)31-24(13-18-15-30-22-11-7-5-9-20(18)22)33-25(35)23(32-26(36)27(2,3)28)12-17-14-29-21-10-6-4-8-19(17)21/h4-11,14-15,23-24,29-30H,12-13,28H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-/m1/s1
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n/an/a 228n/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))		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 286n/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))		BDBM50125887
PNG
(4-Amino-piperidine-4-carboxylic acid [1-[(R)-(R)-1...)
Show SMILES NC1(CCNCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
Show InChI InChI=1S/C28H33N7O3/c29-28(9-11-30-12-10-28)27(38)34-24(13-18-15-31-22-7-3-1-5-20(18)22)26(37)35-25(33-17-36)14-19-16-32-23-8-4-2-6-21(19)23/h1-8,15-17,24-25,30-32H,9-14,29H2,(H,33,36)(H,34,38)(H,35,37)/t24-,25-/m1/s1
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n/an/a 337n/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))		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 391n/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))		BDBM50125878
PNG
(CHEMBL274460 | N-{(R)-2-(1H-Indol-3-yl)-1-[(R)-3-(...)
Show SMILES CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C
Show InChI InChI=1S/C31H40N6O3/c1-19(2)14-28(38)36-27(16-21-18-34-25-13-9-7-11-23(21)25)37-29(39)26(35-30(40)31(3,4)32-5)15-20-17-33-24-12-8-6-10-22(20)24/h6-13,17-19,26-27,32-34H,14-16H2,1-5H3,(H,35,40)(H,36,38)(H,37,39)/t26-,27-/m1/s1
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n/an/a 397n/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))		BDBM50125894
PNG
(CHEMBL279822 | N-[1-[(R)-(R)-1-Acetylamino-2-(1H-i...)
Show SMILES CN(C)C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show InChI InChI=1S/C29H36N6O3/c1-18(36)32-26(15-20-17-31-24-13-9-7-11-22(20)24)34-27(37)25(33-28(38)29(2,3)35(4)5)14-19-16-30-23-12-8-6-10-21(19)23/h6-13,16-17,25-26,30-31H,14-15H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t25-,26-/m1/s1
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n/an/a 440n/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))		BDBM50125892
PNG
(2-Amino-N-{2-(1H-indol-3-yl)-1-[(R)-(R)-2-(1H-indo...)
Show SMILES CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C28H34N6O3/c1-4-25(35)33-24(14-18-16-31-22-12-8-6-10-20(18)22)34-26(36)23(32-27(37)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,32,37)(H,33,35)(H,34,36)/t23-,24-/m1/s1
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n/an/a 460n/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))		BDBM50125893
PNG
(CHEMBL276137 | N-[(R)-1-[(R)-2-(2-Amino-2-methyl-p...)
Show SMILES CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C30H38N6O3/c1-18(2)13-27(37)35-26(15-20-17-33-24-12-8-6-10-22(20)24)36-28(38)25(34-29(39)30(3,4)31)14-19-16-32-23-11-7-5-9-21(19)23/h5-12,16-18,25-26,32-33H,13-15,31H2,1-4H3,(H,34,39)(H,35,37)(H,36,38)/t25-,26-/m1/s1
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n/an/a 535n/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))		BDBM50125883
PNG
(CHEMBL18815 | Piperidine-4-carboxylic acid [1-[(R)...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1
Show InChI InChI=1S/C29H34N6O3/c1-18(36)33-27(15-21-17-32-25-9-5-3-7-23(21)25)35-29(38)26(34-28(37)19-10-12-30-13-11-19)14-20-16-31-24-8-4-2-6-22(20)24/h2-9,16-17,19,26-27,30-32H,10-15H2,1H3,(H,33,36)(H,34,37)(H,35,38)/t26-,27-/m1/s1
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n/an/a 807n/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))		BDBM50125884
PNG
(4-Amino-piperidine-4-carboxylic acid [1-[(R)-(R)-1...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCNCC1
Show InChI InChI=1S/C29H35N7O3/c1-18(37)34-26(15-20-17-33-24-9-5-3-7-22(20)24)36-27(38)25(35-28(39)29(30)10-12-31-13-11-29)14-19-16-32-23-8-4-2-6-21(19)23/h2-9,16-17,25-26,31-33H,10-15,30H2,1H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26-/m1/s1
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n/an/a 807n/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))		BDBM50125887
PNG
(4-Amino-piperidine-4-carboxylic acid [1-[(R)-(R)-1...)
Show SMILES NC1(CCNCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
Show InChI InChI=1S/C28H33N7O3/c29-28(9-11-30-12-10-28)27(38)34-24(13-18-15-31-22-7-3-1-5-20(18)22)26(37)35-25(33-17-36)14-19-16-32-23-8-4-2-6-21(19)23/h1-8,15-17,24-25,30-32H,9-14,29H2,(H,33,36)(H,34,38)(H,35,37)/t24-,25-/m1/s1
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n/an/a 1.79E+3n/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))		BDBM50125882
PNG
(CHEMBL19220 | N-{(R)-1-[(R)-1-Acetylamino-2-(1H-in...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
Show InChI InChI=1S/C27H32N6O3/c1-16(34)31-24(13-18-15-30-22-11-7-5-9-20(18)22)33-25(35)23(32-26(36)27(2,3)28)12-17-14-29-21-10-6-4-8-19(17)21/h4-11,14-15,23-24,29-30H,12-13,28H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t23-,24-/m1/s1
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n/an/a 3.85E+3n/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))		BDBM50125883
PNG
(CHEMBL18815 | Piperidine-4-carboxylic acid [1-[(R)...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1
Show InChI InChI=1S/C29H34N6O3/c1-18(36)33-27(15-21-17-32-25-9-5-3-7-23(21)25)35-29(38)26(34-28(37)19-10-12-30-13-11-19)14-20-16-31-24-8-4-2-6-22(20)24/h2-9,16-17,19,26-27,30-32H,10-15H2,1H3,(H,33,36)(H,34,37)(H,35,38)/t26-,27-/m1/s1
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n/an/a>1.00E+4n/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))		BDBM50125891
PNG
(CHEMBL18853 | N-{2-(1H-Indol-3-yl)-1-[(R)-(R)-2-(1...)
Show SMILES CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC
Show InChI InChI=1S/C29H36N6O3/c1-5-26(36)34-25(15-19-17-32-23-13-9-7-11-21(19)23)35-27(37)24(33-28(38)29(2,3)30-4)14-18-16-31-22-12-8-6-10-20(18)22/h6-13,16-17,24-25,30-32H,5,14-15H2,1-4H3,(H,33,38)(H,34,36)(H,35,37)/t24-,25-/m1/s1
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%