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PubMed code 23176753

Compile data set for download or QSAR
Found 5 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
Galanin receptor type 1


(Homo sapiens (Human))		BDBM50426597
PNG
(CHEMBL2324950)
Show SMILES CNCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r,c:106|
Show InChI InChI=1S/C102H166N26O23/c1-58(2)47-72(87(138)112-56-83(135)128-46-28-35-79(128)97(148)127-102(10)41-23-15-13-12-14-22-40-101(9,99(150)123-68(85(108)136)31-18-24-42-103)126-96(147)71(34-21-27-45-106)117-88(139)69(32-19-25-43-104)116-89(140)70(124-100(102)151)33-20-26-44-105)118-90(141)73(48-59(3)4)119-92(143)75(50-63-36-38-65(131)39-37-63)114-82(134)55-111-86(137)61(7)113-95(146)78(57-129)122-93(144)77(52-80(107)132)120-91(142)74(49-60(5)6)121-98(149)84(62(8)130)125-94(145)76(115-81(133)54-109-11)51-64-53-110-67-30-17-16-29-66(64)67/h12-13,16-17,29-30,36-39,53,58-62,68-79,84,109-110,129-131H,14-15,18-28,31-35,40-52,54-57,103-106H2,1-11H3,(H2,107,132)(H2,108,136)(H,111,137)(H,112,138)(H,113,146)(H,114,134)(H,115,133)(H,116,140)(H,117,139)(H,118,141)(H,119,143)(H,120,142)(H,121,149)(H,122,144)(H,123,150)(H,124,151)(H,125,145)(H,126,147)(H,127,148)/b13-12-/t61-,62+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,101-,102-/m0/s1
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 3.80n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of euporium-galanin from human GalR1 after 1.5 hrs by DELFIA assay

Bioorg Med Chem 21: 303-10 (2012)


Article DOI: 10.1016/j.bmc.2012.10.026
BindingDB Entry DOI: 10.7270/Q2TT4S8Z
More data for this
Ligand-Target Pair
Galanin receptor type 2


(Homo sapiens (Human))		BDBM50426597
PNG
(CHEMBL2324950)
Show SMILES CNCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r,c:106|
Show InChI InChI=1S/C102H166N26O23/c1-58(2)47-72(87(138)112-56-83(135)128-46-28-35-79(128)97(148)127-102(10)41-23-15-13-12-14-22-40-101(9,99(150)123-68(85(108)136)31-18-24-42-103)126-96(147)71(34-21-27-45-106)117-88(139)69(32-19-25-43-104)116-89(140)70(124-100(102)151)33-20-26-44-105)118-90(141)73(48-59(3)4)119-92(143)75(50-63-36-38-65(131)39-37-63)114-82(134)55-111-86(137)61(7)113-95(146)78(57-129)122-93(144)77(52-80(107)132)120-91(142)74(49-60(5)6)121-98(149)84(62(8)130)125-94(145)76(115-81(133)54-109-11)51-64-53-110-67-30-17-16-29-66(64)67/h12-13,16-17,29-30,36-39,53,58-62,68-79,84,109-110,129-131H,14-15,18-28,31-35,40-52,54-57,103-106H2,1-11H3,(H2,107,132)(H2,108,136)(H,111,137)(H,112,138)(H,113,146)(H,114,134)(H,115,133)(H,116,140)(H,117,139)(H,118,141)(H,119,143)(H,120,142)(H,121,149)(H,122,144)(H,123,150)(H,124,151)(H,125,145)(H,126,147)(H,127,148)/b13-12-/t61-,62+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,101-,102-/m0/s1
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 16n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of euporium-galanin from human GalR2 after 1.5 hrs by DELFIA assay

Bioorg Med Chem 21: 303-10 (2012)


Article DOI: 10.1016/j.bmc.2012.10.026
BindingDB Entry DOI: 10.7270/Q2TT4S8Z
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))		BDBM50426598
PNG
(CHEMBL2324949)
Show SMILES CNCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r,t:56|
Show InChI InChI=1S/C93H150N24O21/c1-54(2)44-66(112-89(136)77(56(5)119)114-85(132)69(105-74(122)50-100-8)47-58-49-101-61-27-14-13-26-60(58)61)82(129)111-70(48-73(98)121)84(131)113-71(53-118)87(134)116-92(6)37-19-11-9-10-12-20-38-93(7,115-86(133)67(45-55(3)4)110-83(130)68(104-75(123)51-102-90(92)137)46-57-33-35-59(120)36-34-57)91(138)103-52-76(124)117-43-25-32-72(117)88(135)109-65(31-18-24-42-97)81(128)108-64(30-17-23-41-96)80(127)107-63(29-16-22-40-95)79(126)106-62(78(99)125)28-15-21-39-94/h9-10,13-14,26-27,33-36,49,54-56,62-72,77,100-101,118-120H,11-12,15-25,28-32,37-48,50-53,94-97H2,1-8H3,(H2,98,121)(H2,99,125)(H,102,137)(H,103,138)(H,104,123)(H,105,122)(H,106,126)(H,107,127)(H,108,128)(H,109,135)(H,110,130)(H,111,129)(H,112,136)(H,113,131)(H,114,132)(H,115,133)(H,116,134)/b10-9+/t56-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,77+,92+,93+/m1/s1
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 38n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of euporium-galanin from human GalR1 after 1.5 hrs by DELFIA assay

Bioorg Med Chem 21: 303-10 (2012)


Article DOI: 10.1016/j.bmc.2012.10.026
BindingDB Entry DOI: 10.7270/Q2TT4S8Z
More data for this
Ligand-Target Pair
Galanin receptor type 2


(Homo sapiens (Human))		BDBM50426598
PNG
(CHEMBL2324949)
Show SMILES CNCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC1=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r,t:56|
Show InChI InChI=1S/C93H150N24O21/c1-54(2)44-66(112-89(136)77(56(5)119)114-85(132)69(105-74(122)50-100-8)47-58-49-101-61-27-14-13-26-60(58)61)82(129)111-70(48-73(98)121)84(131)113-71(53-118)87(134)116-92(6)37-19-11-9-10-12-20-38-93(7,115-86(133)67(45-55(3)4)110-83(130)68(104-75(123)51-102-90(92)137)46-57-33-35-59(120)36-34-57)91(138)103-52-76(124)117-43-25-32-72(117)88(135)109-65(31-18-24-42-97)81(128)108-64(30-17-23-41-96)80(127)107-63(29-16-22-40-95)79(126)106-62(78(99)125)28-15-21-39-94/h9-10,13-14,26-27,33-36,49,54-56,62-72,77,100-101,118-120H,11-12,15-25,28-32,37-48,50-53,94-97H2,1-8H3,(H2,98,121)(H2,99,125)(H,102,137)(H,103,138)(H,104,123)(H,105,122)(H,106,126)(H,107,127)(H,108,128)(H,109,135)(H,110,130)(H,111,129)(H,112,136)(H,113,131)(H,114,132)(H,115,133)(H,116,134)/b10-9+/t56-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,77+,92+,93+/m1/s1
PDB

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 119n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Displacement of euporium-galanin from human GalR2 after 1.5 hrs by DELFIA assay

Bioorg Med Chem 21: 303-10 (2012)


Article DOI: 10.1016/j.bmc.2012.10.026
BindingDB Entry DOI: 10.7270/Q2TT4S8Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))		BDBM50426596
PNG
(CHEMBL2324952)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C(=O)CCCCCN)C(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:8.17,2.2,115.118,131.134,146.149,166.169,69.80,64.67,103.106,54.55,wD:41.43,30.39,20.28,4.4,123.126,139.142,140.145,157.160,177.180,85.88,94.97,64.66,54.56,c:61,(32.42,-36.47,;32.42,-34.93,;33.75,-34.16,;35.09,-34.93,;33.75,-32.62,;32.42,-31.85,;31.09,-32.62,;31.09,-34.16,;29.75,-31.85,;29.75,-30.31,;28.42,-29.54,;28.42,-28,;27.08,-27.23,;25.76,-28,;24.42,-27.23,;25.76,-29.54,;27.08,-30.31,;28.42,-32.62,;28.42,-34.16,;29.75,-34.93,;27.08,-34.93,;27.08,-36.47,;28.42,-37.24,;29.82,-36.61,;30.86,-37.75,;30.09,-39.09,;28.58,-38.77,;25.76,-34.16,;24.42,-34.93,;23.08,-34.16,;24.42,-36.47,;25.76,-37.24,;25.76,-38.78,;24.42,-39.55,;24.42,-41.09,;23.08,-41.86,;21.76,-41.09,;23.08,-43.4,;23.08,-37.24,;21.76,-36.47,;21.76,-34.93,;20.42,-37.24,;20.42,-38.78,;19.08,-36.47,;19.07,-34.9,;20.43,-34.11,;17.71,-34.12,;17.7,-32.54,;16.34,-31.76,;16.33,-30.19,;14.97,-29.41,;14.96,-27.83,;17.72,-37.27,;17.72,-38.84,;16.41,-36.53,;17.39,-35.41,;15.47,-34.83,;9.44,-32.24,;8.29,-33.21,;6.76,-32.84,;5.7,-33.96,;6.14,-35.43,;5.08,-36.55,;5.52,-38.02,;4.47,-39.13,;3.35,-38.07,;3.16,-39.93,;1.81,-39.19,;.49,-39.99,;1.77,-37.65,;3.09,-36.85,;3.05,-35.31,;4.36,-34.51,;4.32,-32.98,;2.97,-32.24,;2.94,-30.7,;1.66,-33.03,;1.7,-34.57,;.42,-36.92,;-.91,-37.72,;-.86,-39.25,;-2.25,-36.98,;5.82,-39.87,;5.86,-41.4,;7.14,-39.06,;8.49,-39.8,;8.52,-41.34,;7.21,-42.14,;7.24,-43.68,;5.93,-44.48,;5.96,-46.02,;9.8,-39,;9.77,-37.46,;11.15,-39.74,;11.19,-41.28,;9.87,-42.08,;9.91,-43.62,;11.26,-44.35,;11.29,-45.89,;9.98,-46.7,;12.54,-42.01,;12.57,-43.55,;13.85,-41.21,;13.82,-39.67,;12.47,-38.93,;12.43,-37.4,;11.08,-36.66,;11.04,-35.12,;9.69,-34.39,;15.13,-38.88,;16.49,-39.62,;15.09,-37.34,;35.09,-31.85,;35.09,-30.31,;36.41,-32.62,;37.75,-31.85,;37.75,-30.31,;39.08,-29.54,;40.42,-30.31,;39.08,-28,;39.08,-32.62,;39.08,-34.16,;40.42,-31.85,;41.75,-32.62,;41.75,-34.16,;43.09,-34.93,;43.09,-36.47,;44.42,-34.16,;43.09,-31.85,;43.09,-30.31,;44.42,-32.62,;45.75,-31.85,;45.75,-30.31,;47.08,-29.54,;47.08,-28,;48.41,-30.31,;47.08,-32.62,;47.08,-34.16,;48.41,-31.85,;49.76,-32.62,;49.76,-34.16,;48.41,-34.93,;51.08,-34.93,;51.08,-31.85,;51.08,-30.31,;52.42,-32.62,;53.74,-31.85,;53.74,-30.31,;55.08,-29.54,;55.08,-28,;56.42,-27.23,;56.42,-25.7,;55.08,-24.93,;57.74,-24.93,;55.08,-32.62,;55.08,-34.16,;56.42,-31.85,;57.74,-32.62,;57.74,-34.16,;59.08,-34.93,;59.08,-36.47,;57.74,-37.24,;60.41,-37.24,;59.08,-31.85,;60.41,-32.62,;59.08,-30.31,;60.41,-29.54,;60.41,-28,;61.75,-27.23,;61.75,-25.7,;63.08,-24.93,;63.08,-23.39,;61.75,-22.62,;64.42,-22.62,;61.75,-30.31,;61.75,-31.85,;63.08,-29.54,;64.42,-30.31,;64.42,-31.85,;65.75,-32.62,;67.08,-31.85,;68.41,-32.62,;68.41,-34.16,;69.75,-34.93,;67.08,-34.93,;65.75,-34.16,;65.75,-29.54,;67.08,-30.31,;65.75,-28,)|
Show InChI InChI=1S/C125H203N37O27/c1-12-72(6)100(117(186)156-96(67-98(131)169)112(181)152-91(61-70(2)3)110(179)153-92(62-71(4)5)113(182)159-101(74(8)163)118(187)150-86(36-30-60-142-123(137)138)105(174)149-89(50-51-97(130)168)109(178)147-85(35-29-59-141-122(135)136)106(175)151-90(102(132)171)63-76-38-44-80(165)45-39-76)158-114(183)93(64-77-40-46-81(166)47-41-77)154-111(180)95(66-79-68-139-69-143-79)155-107(176)84(34-28-58-140-121(133)134)145-103(172)73(7)162(99(170)37-18-17-24-54-126)120(189)125(11)53-23-16-14-13-15-22-52-124(10,160-116(185)94(144-75(9)164)65-78-42-48-82(167)49-43-78)119(188)157-87(32-20-26-56-128)108(177)146-83(31-19-25-55-127)104(173)148-88(115(184)161-125)33-21-27-57-129/h13-14,38-49,68-74,83-96,100-101,163,165-167H,12,15-37,50-67,126-129H2,1-11H3,(H2,130,168)(H2,131,169)(H2,132,171)(H,139,143)(H,144,164)(H,145,172)(H,146,177)(H,147,178)(H,148,173)(H,149,174)(H,150,187)(H,151,175)(H,152,181)(H,153,179)(H,154,180)(H,155,176)(H,156,186)(H,157,188)(H,158,183)(H,159,182)(H,160,185)(H,161,184)(H4,133,134,140)(H4,135,136,141)(H4,137,138,142)/b14-13-/t72-,73-,74+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,100-,101-,124-,125-/m0/s1
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n/an/an/an/a 403n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human NPY2R expressed inj CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by luminescenc...

Bioorg Med Chem 21: 303-10 (2012)


Article DOI: 10.1016/j.bmc.2012.10.026
BindingDB Entry DOI: 10.7270/Q2TT4S8Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%