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PubMed code 17973363

Compile data set for download or QSAR
Found 13 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))		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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |wU:166.168,203.207,151.153,133.135,67.68,77.79,26.25,113.115,11.11,97.99,178.182,185.190,189.194,wD:194.198,157.159,211.215,227.232,142.144,58.59,45.45,37.37,122.124,86.88,104.106,15.17,223.229,54.56,(58.89,-82.98,;57.56,-82.21,;57.56,-80.67,;56.23,-79.9,;56.23,-78.36,;54.89,-77.59,;54.89,-76.05,;53.56,-75.28,;52.22,-76.05,;53.56,-73.74,;52.22,-72.97,;52.22,-71.43,;53.56,-70.66,;54.89,-71.43,;54.89,-72.97,;56.23,-70.66,;56.23,-69.12,;57.56,-68.35,;57.56,-71.43,;58.89,-70.66,;58.89,-69.12,;60.23,-71.43,;61.56,-70.66,;50.89,-70.66,;50.89,-69.12,;49.56,-71.43,;48.22,-70.66,;46.89,-71.43,;46.89,-72.97,;48.22,-73.74,;48.22,-75.28,;46.89,-76.05,;45.56,-75.28,;45.56,-73.74,;48.22,-69.12,;49.56,-68.35,;46.89,-68.35,;46.89,-66.81,;48.22,-66.04,;48.22,-64.5,;49.56,-63.73,;46.89,-63.73,;45.56,-66.04,;45.56,-64.5,;44.22,-66.81,;42.89,-66.04,;42.89,-64.5,;41.55,-63.73,;41.55,-66.81,;41.55,-68.35,;40.22,-66.04,;40.06,-64.51,;38.55,-64.19,;37.78,-65.52,;38.81,-66.67,;38.49,-68.17,;39.64,-69.2,;37.03,-68.65,;35.88,-67.62,;36.2,-66.11,;35.06,-65.08,;35.38,-63.58,;34.24,-62.54,;36.85,-63.1,;34.42,-68.09,;34.1,-69.6,;33.28,-67.06,;31.81,-67.54,;31.49,-69.05,;30.03,-69.52,;28.78,-68.62,;27.53,-69.52,;28.01,-70.99,;29.55,-70.99,;30.67,-66.51,;29.2,-66.99,;30.99,-65,;29.84,-63.97,;28.38,-64.45,;27.23,-63.42,;25.77,-63.89,;24.62,-62.86,;25.45,-65.4,;30.16,-62.47,;31.63,-61.99,;29.02,-61.44,;29.34,-59.93,;30.8,-59.45,;31.12,-57.95,;32.59,-57.47,;32.91,-55.96,;34.37,-55.49,;34.69,-53.98,;35.52,-56.52,;28.19,-58.9,;26.73,-59.37,;28.51,-57.39,;27.37,-56.36,;25.9,-56.84,;24.76,-55.81,;25.58,-58.34,;27.69,-54.86,;29.15,-54.38,;26.54,-53.83,;26.87,-52.32,;28.33,-51.84,;28.65,-50.34,;30.11,-49.86,;30.43,-48.35,;31.26,-50.89,;25.72,-51.29,;24.26,-51.76,;26.04,-49.78,;24.9,-48.75,;23.43,-49.23,;22.29,-48.2,;20.82,-48.67,;19.68,-47.64,;20.5,-50.18,;25.22,-47.25,;26.68,-46.77,;24.07,-46.21,;24.39,-44.71,;25.86,-44.23,;26.18,-42.73,;27.64,-42.25,;27.96,-40.74,;29.43,-40.27,;29.75,-38.76,;30.57,-41.3,;23.25,-43.68,;21.78,-44.15,;23.57,-42.17,;22.42,-41.14,;20.96,-41.62,;19.81,-40.59,;18.35,-41.06,;17.21,-40.03,;15.74,-40.51,;22.74,-39.63,;24.21,-39.16,;21.6,-38.6,;21.92,-37.1,;23.38,-36.62,;23.7,-35.12,;25.17,-34.64,;25.49,-33.13,;26.31,-35.67,;20.77,-36.07,;19.31,-36.54,;21.1,-34.56,;19.95,-33.53,;18.49,-34.01,;17.34,-32.98,;20.27,-32.02,;21.74,-31.55,;19.13,-30.99,;19.45,-29.49,;20.91,-29.01,;21.23,-27.5,;22.7,-27.03,;23.02,-25.52,;24.48,-25.05,;18.3,-28.46,;16.84,-28.93,;18.62,-26.95,;17.48,-25.92,;16.01,-26.4,;14.87,-25.37,;13.4,-25.84,;12.26,-24.81,;10.79,-25.29,;17.8,-24.41,;19.26,-23.94,;16.65,-23.38,;15.15,-23.7,;14.38,-22.37,;15.41,-21.22,;16.81,-21.85,;18.15,-21.08,;19.48,-21.85,;18.15,-19.54,;16.9,-18.64,;17.38,-17.17,;18.92,-17.17,;19.39,-18.64,;20.86,-19.11,;21.18,-20.62,;22,-18.08,;21.68,-16.57,;20.22,-16.1,;22.83,-15.54,;24.29,-16.02,;22.51,-14.04,;23.65,-13.01,;25.12,-13.48,;26.26,-12.45,;27.73,-12.93,;28.87,-11.9,;30.33,-12.37,;23.33,-11.5,;21.87,-11.03,;24.48,-10.47,;24.16,-8.96,;22.69,-8.49,;21.66,-7.34,;20.15,-7.66,;22.14,-5.88,;25.3,-7.93,;26.76,-8.41,;24.98,-6.43,;26.12,-5.4,;27.59,-5.87,;28.73,-4.84,;30.2,-5.32,;30.52,-6.82,;31.34,-4.29,;25.8,-3.89,;24.34,-3.41,;26.95,-2.86,;28.46,-3.18,;29.23,-1.85,;28.19,-.7,;26.79,-1.33,;25.45,-.56,;24.12,-1.33,;25.45,.98,;26.79,1.75,;28.12,.98,;29.46,1.75,;30.79,.98,;32.12,1.75,;33.46,.98,;34.79,1.75,;33.46,-.56,;26.79,3.29,;28.12,4.06,;25.45,4.06,)|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
Growth hormone secretagogue receptor type 1


(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 |r|
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
* indicates data uncertainty>20%