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Compile Data Set for Download or QSAR

Found 24 hits from Bristol Myers Squibb   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


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



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 1.42n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


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


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


(Homo sapiens (Human))
BDBM50235841
PNG
((S)-2-(5-(2-(3-(trifluoromethyl)benzyloxy)-1-(2-am...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1cccc(c1)C(F)(F)F)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H32F3N7O5/c1-21(2,26)19(34)28-17(14-36-13-15-6-5-7-16(12-15)22(23,24)25)18-29-30-31-32(18)9-11-37-20(35)27-8-3-4-10-33/h5-7,12,17,33H,3-4,8-11,13-14,26H2,1-2H3,(H,27,35)(H,28,34)/t17-/m1/s1
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n/an/an/an/a 1.79n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


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



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


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



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235843
PNG
((S)-2-(5-(2-(3-chlorobenzyloxy)-1-(2-amino-2-methy...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1cccc(Cl)c1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H32ClN7O5/c1-21(2,23)19(31)25-17(14-33-13-15-6-5-7-16(22)12-15)18-26-27-28-29(18)9-11-34-20(32)24-8-3-4-10-30/h5-7,12,17,30H,3-4,8-11,13-14,23H2,1-2H3,(H,24,32)(H,25,31)/t17-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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
Show InChI InChI=1/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-/s2
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n/an/an/an/a 1.41n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


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



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235844
PNG
((S)-2-(5-(2-(3,5-bis(trifluoromethyl)benzyloxy)-1-...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C23H31F6N7O5/c1-21(2,30)19(38)32-17(18-33-34-35-36(18)6-8-41-20(39)31-5-3-4-7-37)13-40-12-14-9-15(22(24,25)26)11-16(10-14)23(27,28)29/h9-11,17,37H,3-8,12-13,30H2,1-2H3,(H,31,39)(H,32,38)/t17-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235846
PNG
((S)-2-(5-(2-(3-(trifluoromethoxy)benzyloxy)-1-(2-a...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1cccc(OC(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H32F3N7O6/c1-21(2,26)19(34)28-17(14-36-13-15-6-5-7-16(12-15)38-22(23,24)25)18-29-30-31-32(18)9-11-37-20(35)27-8-3-4-10-33/h5-7,12,17,33H,3-4,8-11,13-14,26H2,1-2H3,(H,27,35)(H,28,34)/t17-/m1/s1
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n/an/an/an/a 3.10n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235848
PNG
((S)-2-(5-(2-(3,5-dichlorobenzyloxy)-1-(2-amino-2-m...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1cc(Cl)cc(Cl)c1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H31Cl2N7O5/c1-21(2,24)19(32)26-17(13-34-12-14-9-15(22)11-16(23)10-14)18-27-28-29-30(18)6-8-35-20(33)25-5-3-4-7-31/h9-11,17,31H,3-8,12-13,24H2,1-2H3,(H,25,33)(H,26,32)/t17-/m1/s1
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n/an/an/an/a 6.75n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235847
PNG
((S)-2-(5-(1-(2-amino-2-methylpropanamido)-2-(cyclo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCC1CCCCC1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H39N7O5/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/h16-17,29H,3-15,22H2,1-2H3,(H,23,31)(H,24,30)/t17-/m1/s1
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n/an/an/an/a 1.66n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


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



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235851
PNG
((S)-2-(5-(2-(4-(trifluoromethoxy)benzyloxy)-1-(2-a...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(OC(F)(F)F)cc1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H32F3N7O6/c1-21(2,26)19(34)28-17(14-36-13-15-5-7-16(8-6-15)38-22(23,24)25)18-29-30-31-32(18)10-12-37-20(35)27-9-3-4-11-33/h5-8,17,33H,3-4,9-14,26H2,1-2H3,(H,27,35)(H,28,34)/t17-/m1/s1
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n/an/an/an/a 33.2n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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=1/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-/s2
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n/an/an/an/a 1.92n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235853
PNG
((S)-2-(5-(2-(2-cyanobenzyloxy)-1-(2-amino-2-methyl...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1C#N)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H32N8O5/c1-22(2,24)20(32)26-18(15-34-14-17-8-4-3-7-16(17)13-23)19-27-28-29-30(19)10-12-35-21(33)25-9-5-6-11-31/h3-4,7-8,18,31H,5-6,9-12,14-15,24H2,1-2H3,(H,25,33)(H,26,32)/t18-/m1/s1
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n/an/an/an/a 1.26n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235850
PNG
(2-(5-((S)-2-(2-(3,5-dimethylisoxazol-4-yl)benzylox...)
Show SMILES Cc1noc(C)c1-c1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C26H38N8O6/c1-17-22(18(2)40-31-17)20-10-6-5-9-19(20)15-38-16-21(29-24(36)26(3,4)27)23-30-32-33-34(23)12-14-39-25(37)28-11-7-8-13-35/h5-6,9-10,21,35H,7-8,11-16,27H2,1-4H3,(H,28,37)(H,29,36)/t21-/m1/s1
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n/an/an/an/a 1.04n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50235852
PNG
(2-(5-((S)-2-(2-(pyridin-3-yl)benzyloxy)-1-(2-amino...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1cccnc1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C26H36N8O5/c1-26(2,27)24(36)30-22(18-38-17-20-8-3-4-10-21(20)19-9-7-11-28-16-19)23-31-32-33-34(23)13-15-39-25(37)29-12-5-6-14-35/h3-4,7-11,16,22,35H,5-6,12-15,17-18,27H2,1-2H3,(H,29,37)(H,30,36)/t22-/m1/s1
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n/an/an/an/a 1.18n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


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



Bristol Myers Squibb

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
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=1/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-/s2
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n/an/an/an/a 1.92n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


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


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


(Homo sapiens (Human))
BDBM50243636
PNG
((R)-2-amino-N-(1-(1-(2-cyanoethyl)-1H-tetrazol-5-y...)
Show SMILES CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCC#N
Show InChI InChI=1/C18H23F2N7O/c1-17(2,22)16(28)23-14(15-24-25-26-27(15)12-6-11-21)9-10-18(19,20)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-10,12,22H2,1-2H3,(H,23,28)/t14-/s2
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n/an/an/an/a 0.900n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


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


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


(Homo sapiens (Human))
BDBM50222148
PNG
((S)-2-amino-N-(2-(benzyloxy)-1-(1-(2-cyanoethyl)-1...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCC#N
Show InChI InChI=1/C17H23N7O2/c1-17(2,19)16(25)20-14(12-26-11-13-7-4-3-5-8-13)15-21-22-23-24(15)10-6-9-18/h3-5,7-8,14H,6,10-12,19H2,1-2H3,(H,20,25)/t14-/s2
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n/an/an/an/a 30n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


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


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


(Homo sapiens (Human))
BDBM50243597
PNG
((R)-2-(5-(1-(2-amino-2-methylpropanamido)-4,4-difl...)
Show SMILES CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1/C22H33F2N7O4/c1-21(2,25)19(33)27-17(10-11-22(23,24)16-8-4-3-5-9-16)18-28-29-30-31(18)13-15-35-20(34)26-12-6-7-14-32/h3-5,8-9,17,32H,6-7,10-15,25H2,1-2H3,(H,26,34)(H,27,33)/t17-/s2
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n/an/an/an/a 0.270n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


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


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


(Homo sapiens (Human))
BDBM50235839
PNG
((S)-2-(5-(2-(2-methoxybenzyloxy)-1-(2-amino-2-meth...)
Show SMILES COc1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C22H35N7O6/c1-22(2,23)20(31)25-17(15-34-14-16-8-4-5-9-18(16)33-3)19-26-27-28-29(19)11-13-35-21(32)24-10-6-7-12-30/h4-5,8-9,17,30H,6-7,10-15,23H2,1-3H3,(H,24,32)(H,25,31)/t17-/m1/s1
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n/an/an/an/a 1.11n/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


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


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


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