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Compile Data Set for Download or QSAR

Found 1837 hits Enz. Inhib. hit(s) with Target = 'Ghrelin receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


(Homo sapiens (human))
BDBM21942
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCO
Show InChI InChI=1S/C19H29N7O5/c1-19(2,20)17(28)22-15(13-30-12-14-6-4-3-5-7-14)16-23-24-25-26(16)9-11-31-18(29)21-8-10-27/h3-7,15,27H,8-13,20H2,1-2H3,(H,21,29)(H,22,28)/t15-/m1/s1
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n/an/an/an/a 3n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21941
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H33N7O5/c1-21(2,22)19(30)24-17(15-32-14-16-8-4-3-5-9-16)18-25-26-27-28(18)11-13-33-20(31)23-10-6-7-12-29/h3-5,8-9,17,29H,6-7,10-15,22H2,1-2H3,(H,23,31)(H,24,30)/t17-/m1/s1
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n/an/an/an/a 1.90n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21940
PNG
(Ghrelin)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)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](CCCN=C(N)N)C(=O)N[C@@H](C(C)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)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,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-,119-/m0/s1
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n/an/an/an/a 1.40n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21952
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCn1ccnc1
Show InChI InChI=1S/C23H33N9O4/c1-23(2,24)21(33)27-19(16-35-15-18-7-4-3-5-8-18)20-28-29-30-32(20)13-14-36-22(34)26-9-6-11-31-12-10-25-17-31/h3-5,7-8,10,12,17,19H,6,9,11,13-16,24H2,1-2H3,(H,26,34)(H,27,33)/t19-/m1/s1
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n/an/an/an/a 45.3n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21951
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C22H33N7O5/c1-22(2,23)20(30)25-18(15-32-14-16-7-4-3-5-8-16)19-26-27-28-29(19)10-12-34-21(31)24-13-17-9-6-11-33-17/h3-5,7-8,17-18H,6,9-15,23H2,1-2H3,(H,24,31)(H,25,30)/t17-,18-/m1/s1
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n/an/an/an/a 9.5n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21950
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCc1cccc(O)c1
Show InChI InChI=1S/C25H33N7O5/c1-25(2,26)23(34)28-21(17-36-16-19-7-4-3-5-8-19)22-29-30-31-32(22)13-14-37-24(35)27-12-11-18-9-6-10-20(33)15-18/h3-10,15,21,33H,11-14,16-17,26H2,1-2H3,(H,27,35)(H,28,34)/t21-/m1/s1
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n/an/an/an/a 7.90n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21943
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCO
Show InChI InChI=1S/C20H31N7O5/c1-20(2,21)18(29)23-16(14-31-13-15-7-4-3-5-8-15)17-24-25-26-27(17)10-12-32-19(30)22-9-6-11-28/h3-5,7-8,16,28H,6,9-14,21H2,1-2H3,(H,22,30)(H,23,29)/t16-/m1/s1
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n/an/an/an/a 5.5n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21948
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(=O)NCCCCNC(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C23H36N8O5/c1-17(32)25-11-7-8-12-26-22(34)36-14-13-31-20(28-29-30-31)19(27-21(33)23(2,3)24)16-35-15-18-9-5-4-6-10-18/h4-6,9-10,19H,7-8,11-16,24H2,1-3H3,(H,25,32)(H,26,34)(H,27,33)/t19-/m1/s1
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n/an/an/an/a 82.5n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21947
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)N1CCC(C)(O)C1
Show InChI InChI=1S/C22H33N7O5/c1-21(2,23)19(30)24-17(14-33-13-16-7-5-4-6-8-16)18-25-26-27-29(18)11-12-34-20(31)28-10-9-22(3,32)15-28/h4-8,17,32H,9-15,23H2,1-3H3,(H,24,30)/t17-,22?/m1/s1
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n/an/an/an/a 10.1n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21946
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)N1CC[C@@H](O)C1
Show InChI InChI=1S/C21H31N7O5/c1-21(2,22)19(30)23-17(14-32-13-15-6-4-3-5-7-15)18-24-25-26-28(18)10-11-33-20(31)27-9-8-16(29)12-27/h3-7,16-17,29H,8-14,22H2,1-2H3,(H,23,30)/t16-,17-/m1/s1
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n/an/an/an/a 1n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21945
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CN(CCCCO)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C22H35N7O5/c1-22(2,23)20(31)24-18(16-33-15-17-9-5-4-6-10-17)19-25-26-27-29(19)12-14-34-21(32)28(3)11-7-8-13-30/h4-6,9-10,18,30H,7-8,11-16,23H2,1-3H3,(H,24,31)/t18-/m1/s1
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n/an/an/an/a 3.80n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21944
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCCO
Show InChI InChI=1S/C22H35N7O5/c1-22(2,23)20(31)25-18(16-33-15-17-9-5-3-6-10-17)19-26-27-28-29(19)12-14-34-21(32)24-11-7-4-8-13-30/h3,5-6,9-10,18,30H,4,7-8,11-16,23H2,1-2H3,(H,24,32)(H,25,31)/t18-/m1/s1
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n/an/an/an/a 14.6n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM21949
PNG
(2-{5-[(1S)-1-(2-amino-2-methylpropanamido)-2-(benz...)
Show SMILES CC(=O)N[C@@H]1CCN(C1)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
Show InChI InChI=1S/C23H34N8O5/c1-16(32)25-18-9-10-30(13-18)22(34)36-12-11-31-20(27-28-29-31)19(26-21(33)23(2,3)24)15-35-14-17-7-5-4-6-8-17/h4-8,18-19H,9-15,24H2,1-3H3,(H,25,32)(H,26,33)/t18-,19-/m1/s1
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n/an/an/an/a 3.30n/an/a7.222



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activatio...


J Med Chem 50: 5890-3 (2007)


Article DOI: 10.1021/jm7010595
BindingDB Entry DOI: 10.7270/Q24J0CCV
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19306
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)CCN)cc1
Show InChI InChI=1S/C31H34N6O2/c1-39-25-14-11-23(12-15-25)21-37-29(16-13-22-7-3-2-4-8-22)35-36-31(37)28(34-30(38)17-18-32)19-24-20-33-27-10-6-5-9-26(24)27/h2-12,14-15,20,28,33H,13,16-19,21,32H2,1H3,(H,34,38)/t28-/m1/s1
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n/an/a 59n/a 256n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19307
PNG
((2S)-2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-me...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2ccccc2)cc1
Show InChI InChI=1S/C37H38N6O2/c1-45-30-19-16-28(17-20-30)25-43-35(21-18-26-10-4-2-5-11-26)41-42-36(43)34(23-29-24-39-33-15-9-8-14-31(29)33)40-37(44)32(38)22-27-12-6-3-7-13-27/h2-17,19-20,24,32,34,39H,18,21-23,25,38H2,1H3,(H,40,44)/t32-,34+/m0/s1
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n/an/a 175 24n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM19309
PNG
((2R)-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
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 28 7n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM19311
PNG
((2R)-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
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-/m1/s1
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n/an/a 32 8n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM19313
PNG
((2S)-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1
Show InChI InChI=1S/C34H38N6O3/c1-42-26-16-15-24(31(20-26)43-2)22-40-32(17-14-23-9-4-3-5-10-23)38-39-33(40)30(37-34(41)29-13-8-18-35-29)19-25-21-36-28-12-7-6-11-27(25)28/h3-7,9-12,15-16,20-21,29-30,35-36H,8,13-14,17-19,22H2,1-2H3,(H,37,41)/t29-,30+/m0/s1
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n/an/a 44 32n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19314
PNG
((2S)-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phe...)
Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1
Show InChI InChI=1S/C34H38N6O/c1-2-24-14-16-26(17-15-24)23-40-32(19-18-25-9-4-3-5-10-25)38-39-33(40)31(37-34(41)30-13-8-20-35-30)21-27-22-36-29-12-7-6-11-28(27)29/h3-7,9-12,14-17,22,30-31,35-36H,2,8,13,18-21,23H2,1H3,(H,37,41)/t30-,31+/m0/s1
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n/an/a 490n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19315
PNG
((2S)-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-ph...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1)[C@@H]1CCCN1
Show InChI InChI=1S/C31H32N6O/c38-31(27-16-9-19-32-27)34-28(20-23-21-33-26-15-8-7-14-25(23)26)30-36-35-29(18-17-22-10-3-1-4-11-22)37(30)24-12-5-2-6-13-24/h1-8,10-15,21,27-28,32-33H,9,16-20H2,(H,34,38)/t27-,28+/m0/s1
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n/an/a>1.00E+3n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19316
PNG
((2S)-N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3...)
Show SMILES CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C35H37N7O/c1-2-23-13-16-26(17-14-23)42-33(18-15-24-21-37-29-10-5-3-8-27(24)29)40-41-34(42)32(39-35(43)31-12-7-19-36-31)20-25-22-38-30-11-6-4-9-28(25)30/h3-6,8-11,13-14,16-17,21-22,31-32,36-38H,2,7,12,15,18-20H2,1H3,(H,39,43)/t31-,32+/m0/s1
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n/an/a 350n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19317
PNG
((2S,4R)-4-hydroxy-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1
Show InChI InChI=1S/C33H36N6O3/c1-42-26-14-11-23(12-15-26)21-39-31(16-13-22-7-3-2-4-8-22)37-38-32(39)29(36-33(41)30-18-25(40)20-35-30)17-24-19-34-28-10-6-5-9-27(24)28/h2-12,14-15,19,25,29-30,34-35,40H,13,16-18,20-21H2,1H3,(H,36,41)/t25-,29-,30+/m1/s1
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n/an/a 173n/an/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
Ghrelin receptor


(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
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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM19320
PNG
(N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-phenylethyl)-4-(...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1)C1CCCNC1
Show InChI InChI=1S/C32H35N7O/c40-32(24-11-8-17-33-20-24)36-29(19-25-21-35-28-14-5-4-13-27(25)28)31-38-37-30(16-15-23-9-2-1-3-10-23)39(31)22-26-12-6-7-18-34-26/h1-7,9-10,12-14,18,21,24,29,33,35H,8,11,15-17,19-20,22H2,(H,36,40)/t24?,29-/m1/s1
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n/an/a>1.00E+3n/an/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM19305
PNG
((2S)-2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-...)
Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)N)cc1
Show InChI InChI=1S/C32H36N6O/c1-3-23-13-15-25(16-14-23)21-38-30(18-17-24-9-5-4-6-10-24)36-37-31(38)29(35-32(39)22(2)33)19-26-20-34-28-12-8-7-11-27(26)28/h4-16,20,22,29,34H,3,17-19,21,33H2,1-2H3,(H,35,39)/t22-,29+/m0/s1
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n/an/a 275n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19304
PNG
((2S)-2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-me...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)N)cc1
Show InChI InChI=1S/C31H34N6O2/c1-21(32)31(38)34-28(18-24-19-33-27-11-7-6-10-26(24)27)30-36-35-29(17-14-22-8-4-3-5-9-22)37(30)20-23-12-15-25(39-2)16-13-23/h3-13,15-16,19,21,28,33H,14,17-18,20,32H2,1-2H3,(H,34,38)/t21-,28+/m0/s1
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n/an/a 113n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19303
PNG
((2-aminoethyl)[(1R)-1-{4-[(2,4-dimethoxyphenyl)met...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCCN)c(OC)c1
Show InChI InChI=1S/C31H36N6O2/c1-38-25-14-13-23(29(19-25)39-2)21-37-30(15-12-22-8-4-3-5-9-22)35-36-31(37)28(33-17-16-32)18-24-20-34-27-11-7-6-10-26(24)27/h3-11,13-14,19-20,28,33-34H,12,15-18,21,32H2,1-2H3/t28-/m1/s1
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n/an/a 190n/a 279n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19302
PNG
(2-amino-N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indo...)
Show SMILES CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN
Show InChI InChI=1S/C32H33N7O/c1-2-21-11-14-24(15-12-21)39-30(16-13-22-19-34-27-9-5-3-7-25(22)27)37-38-32(39)29(36-31(40)18-33)17-23-20-35-28-10-6-4-8-26(23)28/h3-12,14-15,19-20,29,34-35H,2,13,16-18,33H2,1H3,(H,36,40)/t29-/m1/s1
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n/an/a>1.00E+3n/an/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM19300
PNG
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2...)
Show SMILES NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C28H28N6O/c29-18-27(35)31-25(17-21-19-30-24-14-8-7-13-23(21)24)28-33-32-26(16-15-20-9-3-1-4-10-20)34(28)22-11-5-2-6-12-22/h1-14,19,25,30H,15-18,29H2,(H,31,35)/t25-/m1/s1
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n/an/a>1.00E+3n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19299
PNG
(2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-...)
Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1
Show InChI InChI=1S/C31H34N6O/c1-2-22-12-14-24(15-13-22)21-37-29(17-16-23-8-4-3-5-9-23)35-36-31(37)28(34-30(38)19-32)18-25-20-33-27-11-7-6-10-26(25)27/h3-15,20,28,33H,2,16-19,21,32H2,1H3,(H,34,38)/t28-/m1/s1
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n/an/a 759n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19298
PNG
(2-amino-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1
Show InChI InChI=1S/C31H34N6O3/c1-39-24-14-13-22(28(17-24)40-2)20-37-29(15-12-21-8-4-3-5-9-21)35-36-31(37)27(34-30(38)18-32)16-23-19-33-26-11-7-6-10-25(23)26/h3-11,13-14,17,19,27,33H,12,15-16,18,20,32H2,1-2H3,(H,34,38)/t27-/m1/s1
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n/an/a 154n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19297
PNG
(2-amino-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1
Show InChI InChI=1S/C33H35N7O3/c1-42-24-13-11-22(30(16-24)43-2)20-40-31(14-12-21-18-35-27-9-5-3-7-25(21)27)38-39-33(40)29(37-32(41)17-34)15-23-19-36-28-10-6-4-8-26(23)28/h3-11,13,16,18-19,29,35-36H,12,14-15,17,20,34H2,1-2H3,(H,37,41)/t29-/m1/s1
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n/an/a 38 27n/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
Ghrelin receptor


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


(Homo sapiens (human))
BDBM19295
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)CN)cc1
Show InChI InChI=1S/C32H33N7O2/c1-41-24-13-10-21(11-14-24)20-39-30(15-12-22-18-34-27-8-4-2-6-25(22)27)37-38-32(39)29(36-31(40)17-33)16-23-19-35-28-9-5-3-7-26(23)28/h2-11,13-14,18-19,29,34-35H,12,15-17,20,33H2,1H3,(H,36,40)/t29-/m1/s1
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n/an/a 138n/an/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
Ghrelin receptor


(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
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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM19301
PNG
(2-amino-N-[(1R)-1-[4-(2,4-dimethoxyphenyl)-5-(2-ph...)
Show SMILES COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN
Show InChI InChI=1S/C30H32N6O3/c1-38-22-13-14-26(27(17-22)39-2)36-28(15-12-20-8-4-3-5-9-20)34-35-30(36)25(33-29(37)18-31)16-21-19-32-24-11-7-6-10-23(21)24/h3-11,13-14,17,19,25,32H,12,15-16,18,31H2,1-2H3,(H,33,37)/t25-/m1/s1
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n/an/a>1.00E+3n/an/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
Ghrelin receptor


(Homo sapiens (human))
BDBM19384
PNG
(2,4-diaminopyrimidine derivative, 7j | 5-(4-{[(5-c...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1
Show InChI InChI=1S/C17H18ClN5S/c1-2-13-15(16(19)23-17(20)22-13)11-3-5-12(6-4-11)21-8-10-7-14(18)24-9-10/h3-7,9,21H,2,8H2,1H3,(H4,19,20,22,23)
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n/an/a 290n/a 790n/an/a7.422



Abbott Laboratories



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


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19385
PNG
(2,4-diaminopyrimidine derivative, 8a | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H24ClN5O/c26-20-10-6-17(7-11-20)14-29-21-12-8-19(9-13-21)23-22(30-25(28)31-24(23)27)16-32-15-18-4-2-1-3-5-18/h1-13,29H,14-16H2,(H4,27,28,30,31)
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n/an/a 19n/a 180n/an/a7.422



Abbott Laboratories



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


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19386
PNG
(2,4-diaminopyrimidine derivative, 8b | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H24N6O3/c26-24-23(22(29-25(27)30-24)16-34-15-18-4-2-1-3-5-18)19-8-10-20(11-9-19)28-14-17-6-12-21(13-7-17)31(32)33/h1-13,28H,14-16H2,(H4,26,27,29,30)
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n/an/a 0.200n/a 5.80n/an/a7.422



Abbott Laboratories



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


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19387
PNG
(2,4-diaminopyrimidine derivative, 8c | 6-[(benzylo...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O3S/c1-35(32,33)22-13-7-18(8-14-22)15-29-21-11-9-20(10-12-21)24-23(30-26(28)31-25(24)27)17-34-16-19-5-3-2-4-6-19/h2-14,29H,15-17H2,1H3,(H4,27,28,30,31)
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n/an/a 0.300n/a 7.20n/an/a7.422



Abbott Laboratories



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


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19388
PNG
(2,4-diaminopyrimidine derivative, 8d | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C26H24F3N5O3S/c27-26(28,29)38(35,36)21-12-6-17(7-13-21)14-32-20-10-8-19(9-11-20)23-22(33-25(31)34-24(23)30)16-37-15-18-4-2-1-3-5-18/h1-13,32H,14-16H2,(H4,30,31,33,34)
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n/an/a 1n/a 85n/an/a7.422



Abbott Laboratories



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


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19389
PNG
(1-(4-{[(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimi...)
Show SMILES CC(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
Show InChI InChI=1S/C27H27N5O2/c1-18(33)21-9-7-19(8-10-21)15-30-23-13-11-22(12-14-23)25-24(31-27(29)32-26(25)28)17-34-16-20-5-3-2-4-6-20/h2-14,30H,15-17H2,1H3,(H4,28,29,31,32)
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Abbott Laboratories



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


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM19390
PNG
(2,4-diaminopyrimidine derivative, 8f | 6-[(benzylo...)
Show SMILES Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccnc(Cl)c2)cc1
Show InChI InChI=1S/C24H23ClN6O/c25-21-12-17(10-11-28-21)13-29-19-8-6-18(7-9-19)22-20(30-24(27)31-23(22)26)15-32-14-16-4-2-1-3-5-16/h1-12,29H,13-15H2,(H4,26,27,30,31)
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n/an/a 1.5n/a 3.60n/an/a7.422



Abbott Laboratories



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


J Med Chem 49: 2568-78 (2006)


Article DOI: 10.1021/jm0510934
BindingDB Entry DOI: 10.7270/Q27W69G1
More data for this
Ligand-Target Pair
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