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Compile Data Set for Download or QSAR

Found 25 hits of ic50 data for polymerid = 49000595   
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
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50208989
PNG
(CHEMBL506553)
Show SMILES [H][C@](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]1([H])CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0790n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human recombinant GAL1 receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method


Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50378616
PNG
(GALANIN)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r,wU:119.123,135.139,162.167,173.179,200.207,224.233,13.20,42.48,50.61,113.119,93.96,wD:2.2,127.131,145.150,156.161,183.190,191.198,216.224,4.4,8.8,23.23,34.40,66.69,71.76,77.84,85.92,97.112,(19.04,-36.25,;18.27,-34.92,;16.73,-34.92,;15.96,-36.25,;15.96,-33.59,;14.42,-33.59,;13.65,-34.92,;14.42,-36.25,;12.11,-34.92,;11.34,-36.25,;11.34,-33.59,;9.8,-33.59,;9.03,-34.92,;9.03,-32.26,;9.8,-30.92,;9.03,-29.59,;9.66,-28.19,;8.52,-27.16,;7.18,-27.92,;7.5,-29.43,;7.49,-32.26,;6.72,-33.59,;7.49,-34.92,;5.19,-33.67,;4.35,-34.96,;2.86,-34.56,;2.78,-33.03,;4.21,-32.48,;4.62,-30.99,;6.1,-30.59,;3.53,-29.9,;2.04,-30.3,;.95,-29.21,;-.53,-29.61,;1.35,-27.72,;.26,-26.63,;-1.23,-27.03,;-2.31,-25.94,;-1.62,-28.52,;2.83,-27.32,;3.24,-25.83,;2.15,-24.75,;4.72,-25.44,;5.81,-26.53,;5.41,-28.01,;3.93,-28.41,;6.5,-29.11,;5.24,-23.51,;3.83,-22.09,;2.34,-22.49,;4.34,-20.16,;5.83,-19.76,;6.92,-20.85,;8.4,-20.45,;9.5,-21.54,;9.09,-23.02,;10.19,-24.11,;7.61,-23.42,;6.52,-22.33,;2.93,-18.75,;1.44,-19.14,;1.04,-20.63,;.03,-17.72,;-1.46,-18.12,;-1.86,-19.61,;-.77,-20.7,;-3.35,-20.01,;-3.75,-21.5,;-4.43,-18.92,;-5.93,-19.32,;-6.32,-20.81,;-7.01,-18.23,;-8.5,-18.63,;-8.9,-20.12,;-6.61,-16.74,;-7.7,-15.65,;-9.19,-16.05,;-7.3,-14.17,;-8.39,-13.08,;-9.88,-13.47,;-10.97,-12.39,;-10.28,-14.97,;-5.82,-13.77,;-5.42,-12.28,;-6.51,-11.19,;-3.93,-11.88,;-3.53,-10.4,;-4.62,-9.31,;-6.11,-9.71,;-4.22,-7.82,;-2.84,-12.97,;-1.35,-12.57,;-.95,-11.09,;-.27,-13.66,;1.22,-13.27,;2.31,-14.35,;1.91,-15.84,;3.79,-13.96,;4.12,-12.45,;5.58,-11.97,;6.06,-10.51,;7.59,-10.51,;8.07,-11.97,;9.48,-12.6,;9.64,-14.13,;8.39,-15.04,;6.99,-14.41,;6.82,-12.88,;4.89,-15.04,;4.49,-16.53,;3,-16.93,;5.58,-17.62,;7.06,-17.22,;-.66,-15.15,;.43,-16.24,;-2.15,-15.55,;16.73,-32.26,;18.27,-32.26,;15.96,-30.92,;16.73,-29.59,;15.96,-28.26,;14.42,-28.26,;13.65,-29.59,;13.65,-26.93,;18.27,-29.59,;19.04,-28.26,;19.04,-30.92,;20.57,-30.92,;21.35,-32.26,;22.88,-32.26,;23.66,-33.59,;23.66,-30.92,;21.35,-29.59,;22.88,-29.59,;20.57,-28.26,;21.35,-26.93,;20.57,-25.59,;21.35,-24.26,;20.72,-22.86,;21.87,-21.82,;23.2,-22.59,;22.88,-24.09,;22.88,-26.93,;23.66,-28.26,;23.66,-25.59,;25.19,-25.59,;25.97,-26.93,;27.5,-26.93,;28.27,-25.59,;29.81,-25.59,;30.58,-24.26,;32.12,-24.26,;29.81,-22.92,;25.97,-24.26,;27.5,-24.26,;25.19,-22.92,;25.97,-21.59,;27.5,-21.59,;28.27,-20.26,;25.19,-20.26,;25.97,-18.92,;23.66,-20.26,;22.88,-18.92,;21.35,-18.92,;20.57,-17.59,;19.04,-17.59,;18.27,-16.26,;19.04,-14.93,;20.57,-14.93,;21.35,-16.26,;23.66,-17.59,;25.19,-17.59,;22.88,-16.26,;23.66,-14.93,;22.88,-13.59,;23.66,-12.26,;23.03,-10.86,;24.18,-9.82,;25.51,-10.59,;25.19,-12.1,;25.19,-14.93,;25.97,-16.26,;25.97,-13.59,;27.5,-13.59,;28.27,-14.93,;29.81,-14.93,;30.58,-16.26,;30.58,-13.59,;28.27,-12.26,;29.81,-12.26,;27.5,-10.93,;28.27,-9.6,;29.81,-9.6,;30.58,-10.93,;32.12,-10.93,;32.89,-12.26,;34.43,-12.26,;27.5,-8.26,;28.27,-6.92,;25.97,-8.26,;25.19,-6.92,;23.66,-6.92,;22.88,-5.59,;21.35,-5.59,;20.57,-4.26,;21.35,-2.93,;20.57,-1.59,;22.88,-2.93,;23.66,-4.26,;25.97,-5.59,;27.5,-5.59,;25.19,-4.26,;25.97,-2.93,;27.5,-2.93,;28.27,-4.26,;28.27,-1.59,;29.81,-1.59,;30.58,-2.93,;32.12,-2.93,;32.89,-4.26,;32.89,-1.59,;30.58,-.26,;32.12,-.26,;29.81,1.07,;30.58,2.4,;29.81,3.74,;32.12,2.4,;32.89,3.74,;32.89,1.07,)|
Show InChI InChI=1S/C146H213N43O40/c1-15-75(10)119(187-123(207)78(13)167-129(213)101(51-84-60-154-68-162-84)182-143(227)110-31-24-42-189(110)116(200)65-161-124(208)93(43-71(2)3)173-130(214)95(45-73(6)7)174-132(216)98(49-82-34-38-88(194)39-35-82)170-114(198)63-159-122(206)77(12)166-141(225)108(66-190)186-137(221)105(55-112(150)196)179-131(215)96(46-74(8)9)183-145(229)120(79(14)192)188-140(224)100(168-113(197)58-148)50-83-59-158-90-28-20-19-27-89(83)90)144(228)184-107(57-118(203)204)139(223)180-104(54-111(149)195)136(220)178-102(52-85-61-155-69-163-85)134(218)172-92(30-23-41-157-146(152)153)127(211)185-109(67-191)142(226)176-99(47-80-25-17-16-18-26-80)133(217)177-103(53-86-62-156-70-164-86)135(219)181-106(56-117(201)202)138(222)171-91(29-21-22-40-147)126(210)175-97(48-81-32-36-87(193)37-33-81)125(209)160-64-115(199)169-94(44-72(4)5)128(212)165-76(11)121(151)205/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,158,190-194H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,195)(H2,150,196)(H2,151,205)(H,154,162)(H,155,163)(H,156,164)(H,159,206)(H,160,209)(H,161,208)(H,165,212)(H,166,225)(H,167,213)(H,168,197)(H,169,199)(H,170,198)(H,171,222)(H,172,218)(H,173,214)(H,174,216)(H,175,210)(H,176,226)(H,177,217)(H,178,220)(H,179,215)(H,180,223)(H,181,219)(H,182,227)(H,183,229)(H,184,228)(H,185,211)(H,186,221)(H,187,207)(H,188,224)(H,201,202)(H,203,204)(H4,152,153,157)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Binding affinity to human GAL1 receptor by radioligand displacement assay


Bioorg Med Chem 21: 2764-71 (2013)


Article DOI: 10.1016/j.bmc.2013.03.016
BindingDB Entry DOI: 10.7270/Q2N87C5Q
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50378616
PNG
(GALANIN)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O |r,wU:119.123,135.139,162.167,173.179,200.207,224.233,13.20,42.48,50.61,113.119,93.96,wD:2.2,127.131,145.150,156.161,183.190,191.198,216.224,4.4,8.8,23.23,34.40,66.69,71.76,77.84,85.92,97.112,(19.04,-36.25,;18.27,-34.92,;16.73,-34.92,;15.96,-36.25,;15.96,-33.59,;14.42,-33.59,;13.65,-34.92,;14.42,-36.25,;12.11,-34.92,;11.34,-36.25,;11.34,-33.59,;9.8,-33.59,;9.03,-34.92,;9.03,-32.26,;9.8,-30.92,;9.03,-29.59,;9.66,-28.19,;8.52,-27.16,;7.18,-27.92,;7.5,-29.43,;7.49,-32.26,;6.72,-33.59,;7.49,-34.92,;5.19,-33.67,;4.35,-34.96,;2.86,-34.56,;2.78,-33.03,;4.21,-32.48,;4.62,-30.99,;6.1,-30.59,;3.53,-29.9,;2.04,-30.3,;.95,-29.21,;-.53,-29.61,;1.35,-27.72,;.26,-26.63,;-1.23,-27.03,;-2.31,-25.94,;-1.62,-28.52,;2.83,-27.32,;3.24,-25.83,;2.15,-24.75,;4.72,-25.44,;5.81,-26.53,;5.41,-28.01,;3.93,-28.41,;6.5,-29.11,;5.24,-23.51,;3.83,-22.09,;2.34,-22.49,;4.34,-20.16,;5.83,-19.76,;6.92,-20.85,;8.4,-20.45,;9.5,-21.54,;9.09,-23.02,;10.19,-24.11,;7.61,-23.42,;6.52,-22.33,;2.93,-18.75,;1.44,-19.14,;1.04,-20.63,;.03,-17.72,;-1.46,-18.12,;-1.86,-19.61,;-.77,-20.7,;-3.35,-20.01,;-3.75,-21.5,;-4.43,-18.92,;-5.93,-19.32,;-6.32,-20.81,;-7.01,-18.23,;-8.5,-18.63,;-8.9,-20.12,;-6.61,-16.74,;-7.7,-15.65,;-9.19,-16.05,;-7.3,-14.17,;-8.39,-13.08,;-9.88,-13.47,;-10.97,-12.39,;-10.28,-14.97,;-5.82,-13.77,;-5.42,-12.28,;-6.51,-11.19,;-3.93,-11.88,;-3.53,-10.4,;-4.62,-9.31,;-6.11,-9.71,;-4.22,-7.82,;-2.84,-12.97,;-1.35,-12.57,;-.95,-11.09,;-.27,-13.66,;1.22,-13.27,;2.31,-14.35,;1.91,-15.84,;3.79,-13.96,;4.12,-12.45,;5.58,-11.97,;6.06,-10.51,;7.59,-10.51,;8.07,-11.97,;9.48,-12.6,;9.64,-14.13,;8.39,-15.04,;6.99,-14.41,;6.82,-12.88,;4.89,-15.04,;4.49,-16.53,;3,-16.93,;5.58,-17.62,;7.06,-17.22,;-.66,-15.15,;.43,-16.24,;-2.15,-15.55,;16.73,-32.26,;18.27,-32.26,;15.96,-30.92,;16.73,-29.59,;15.96,-28.26,;14.42,-28.26,;13.65,-29.59,;13.65,-26.93,;18.27,-29.59,;19.04,-28.26,;19.04,-30.92,;20.57,-30.92,;21.35,-32.26,;22.88,-32.26,;23.66,-33.59,;23.66,-30.92,;21.35,-29.59,;22.88,-29.59,;20.57,-28.26,;21.35,-26.93,;20.57,-25.59,;21.35,-24.26,;20.72,-22.86,;21.87,-21.82,;23.2,-22.59,;22.88,-24.09,;22.88,-26.93,;23.66,-28.26,;23.66,-25.59,;25.19,-25.59,;25.97,-26.93,;27.5,-26.93,;28.27,-25.59,;29.81,-25.59,;30.58,-24.26,;32.12,-24.26,;29.81,-22.92,;25.97,-24.26,;27.5,-24.26,;25.19,-22.92,;25.97,-21.59,;27.5,-21.59,;28.27,-20.26,;25.19,-20.26,;25.97,-18.92,;23.66,-20.26,;22.88,-18.92,;21.35,-18.92,;20.57,-17.59,;19.04,-17.59,;18.27,-16.26,;19.04,-14.93,;20.57,-14.93,;21.35,-16.26,;23.66,-17.59,;25.19,-17.59,;22.88,-16.26,;23.66,-14.93,;22.88,-13.59,;23.66,-12.26,;23.03,-10.86,;24.18,-9.82,;25.51,-10.59,;25.19,-12.1,;25.19,-14.93,;25.97,-16.26,;25.97,-13.59,;27.5,-13.59,;28.27,-14.93,;29.81,-14.93,;30.58,-16.26,;30.58,-13.59,;28.27,-12.26,;29.81,-12.26,;27.5,-10.93,;28.27,-9.6,;29.81,-9.6,;30.58,-10.93,;32.12,-10.93,;32.89,-12.26,;34.43,-12.26,;27.5,-8.26,;28.27,-6.92,;25.97,-8.26,;25.19,-6.92,;23.66,-6.92,;22.88,-5.59,;21.35,-5.59,;20.57,-4.26,;21.35,-2.93,;20.57,-1.59,;22.88,-2.93,;23.66,-4.26,;25.97,-5.59,;27.5,-5.59,;25.19,-4.26,;25.97,-2.93,;27.5,-2.93,;28.27,-4.26,;28.27,-1.59,;29.81,-1.59,;30.58,-2.93,;32.12,-2.93,;32.89,-4.26,;32.89,-1.59,;30.58,-.26,;32.12,-.26,;29.81,1.07,;30.58,2.4,;29.81,3.74,;32.12,2.4,;32.89,3.74,;32.89,1.07,)|
Show InChI InChI=1S/C146H213N43O40/c1-15-75(10)119(187-123(207)78(13)167-129(213)101(51-84-60-154-68-162-84)182-143(227)110-31-24-42-189(110)116(200)65-161-124(208)93(43-71(2)3)173-130(214)95(45-73(6)7)174-132(216)98(49-82-34-38-88(194)39-35-82)170-114(198)63-159-122(206)77(12)166-141(225)108(66-190)186-137(221)105(55-112(150)196)179-131(215)96(46-74(8)9)183-145(229)120(79(14)192)188-140(224)100(168-113(197)58-148)50-83-59-158-90-28-20-19-27-89(83)90)144(228)184-107(57-118(203)204)139(223)180-104(54-111(149)195)136(220)178-102(52-85-61-155-69-163-85)134(218)172-92(30-23-41-157-146(152)153)127(211)185-109(67-191)142(226)176-99(47-80-25-17-16-18-26-80)133(217)177-103(53-86-62-156-70-164-86)135(219)181-106(56-117(201)202)138(222)171-91(29-21-22-40-147)126(210)175-97(48-81-32-36-87(193)37-33-81)125(209)160-64-115(199)169-94(44-72(4)5)128(212)165-76(11)121(151)205/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,158,190-194H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,195)(H2,150,196)(H2,151,205)(H,154,162)(H,155,163)(H,156,164)(H,159,206)(H,160,209)(H,161,208)(H,165,212)(H,166,225)(H,167,213)(H,168,197)(H,169,199)(H,170,198)(H,171,222)(H,172,218)(H,173,214)(H,174,216)(H,175,210)(H,176,226)(H,177,217)(H,178,220)(H,179,215)(H,180,223)(H,181,219)(H,182,227)(H,183,229)(H,184,228)(H,185,211)(H,186,221)(H,187,207)(H,188,224)(H,201,202)(H,203,204)(H4,152,153,157)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1
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n/an/a 0.770n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human GAL1 receptor by radioligand displacement assay


Eur J Med Chem 63: 85-94 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.044
BindingDB Entry DOI: 10.7270/Q2JH3NKC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358662
PNG
(CHEMBL1922003)
Show SMILES Cc1c(F)cccc1Nc1cc(nc(n1)N1CCCN(CC1)c1ncccc1C(F)(F)F)N1CCCCC1
Show InChI InChI=1S/C27H31F4N7/c1-19-21(28)9-5-10-22(19)33-23-18-24(36-12-3-2-4-13-36)35-26(34-23)38-15-7-14-37(16-17-38)25-20(27(29,30)31)8-6-11-32-25/h5-6,8-11,18H,2-4,7,12-17H2,1H3,(H,33,34,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358673
PNG
(CHEMBL1922025)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C28H35FN6O4/c1-28(2,3)39-27(36)35-14-6-13-34(15-16-35)25-18-24(30-20-9-12-23(38-5)22(29)17-20)32-26(33-25)31-19-7-10-21(37-4)11-8-19/h7-12,17-18H,6,13-16H2,1-5H3,(H2,30,31,32,33)
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n/an/a 2.82E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358659
PNG
(CHEMBL1922000)
Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCCN(CC2)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C27H32F3N7O/c1-38-21-10-8-20(9-11-21)32-23-19-24(35-13-3-2-4-14-35)34-26(33-23)37-16-6-15-36(17-18-37)25-22(27(28,29)30)7-5-12-31-25/h5,7-12,19H,2-4,6,13-18H2,1H3,(H,32,33,34)
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n/an/a 3.35E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358669
PNG
(CHEMBL1922021)
Show SMILES COc1ccc(Nc2nc(NCC3CCCCC3)cc(Nc3ccc(OC)c(F)c3)n2)cc1
Show InChI InChI=1S/C25H30FN5O2/c1-32-20-11-8-18(9-12-20)29-25-30-23(27-16-17-6-4-3-5-7-17)15-24(31-25)28-19-10-13-22(33-2)21(26)14-19/h8-15,17H,3-7,16H2,1-2H3,(H3,27,28,29,30,31)
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n/an/a 3.84E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358670
PNG
(CHEMBL1922022)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C26H27FN8O2/c1-36-20-7-4-18(5-8-20)31-25-32-23(30-19-6-9-22(37-2)21(27)16-19)17-24(33-25)34-12-14-35(15-13-34)26-28-10-3-11-29-26/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31,32,33)
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n/an/a 3.84E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358660
PNG
(CHEMBL1922001)
Show SMILES Cc1ccc(C)c(Nc2cc(nc(n2)N2CCCN(CC2)c2ncccc2C(F)(F)F)N2CCCCC2)c1
Show InChI InChI=1S/C28H34F3N7/c1-20-9-10-21(2)23(18-20)33-24-19-25(36-12-4-3-5-13-36)35-27(34-24)38-15-7-14-37(16-17-38)26-22(28(29,30)31)8-6-11-32-26/h6,8-11,18-19H,3-5,7,12-17H2,1-2H3,(H,33,34,35)
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n/an/a 3.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358653
PNG
(CHEMBL1921993)
Show SMILES COc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H25N5O2/c1-28-18-10-8-16(9-11-18)23-20-15-21(24-17-6-5-7-19(14-17)29-2)26-22(25-20)27-12-3-4-13-27/h5-11,14-15H,3-4,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a 4.60E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358655
PNG
(CHEMBL1921996)
Show SMILES COc1ccc(Nc2cc(Nc3cccc(OC(F)F)c3)nc(NC3CCCCC3)n2)cc1
Show InChI InChI=1S/C24H27F2N5O2/c1-32-19-12-10-17(11-13-19)27-21-15-22(28-18-8-5-9-20(14-18)33-23(25)26)31-24(30-21)29-16-6-3-2-4-7-16/h5,8-16,23H,2-4,6-7H2,1H3,(H3,27,28,29,30,31)
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n/an/a 5.03E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358667
PNG
(CHEMBL1922016)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCCCCC2)cc1
Show InChI InChI=1S/C24H28FN5O2/c1-31-19-10-7-17(8-11-19)27-24-28-22(26-18-9-12-21(32-2)20(25)15-18)16-23(29-24)30-13-5-3-4-6-14-30/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,26,27,28,29)
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n/an/a 5.48E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358657
PNG
(CHEMBL1921998)
Show SMILES COc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(NC3CCCCC3)n2)cc1
Show InChI InChI=1S/C24H29N5O2/c1-30-20-13-11-18(12-14-20)25-22-16-23(26-19-9-6-10-21(15-19)31-2)29-24(28-22)27-17-7-4-3-5-8-17/h6,9-17H,3-5,7-8H2,1-2H3,(H3,25,26,27,28,29)
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n/an/a 5.62E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358656
PNG
(CHEMBL1921997)
Show SMILES COc1ccc(Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(NC3CCCCC3)n2)cc1
Show InChI InChI=1S/C24H26F3N5O2/c1-33-19-11-7-17(8-12-19)28-21-15-22(32-23(31-21)30-16-5-3-2-4-6-16)29-18-9-13-20(14-10-18)34-24(25,26)27/h7-16H,2-6H2,1H3,(H3,28,29,30,31,32)
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n/an/a 5.93E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358661
PNG
(CHEMBL1922002)
Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCCN(CC2)c2ncccc2C(F)(F)F)N2CCCCC2)cc1F
Show InChI InChI=1S/C27H31F4N7O/c1-39-22-9-8-19(17-21(22)28)33-23-18-24(36-11-3-2-4-12-36)35-26(34-23)38-14-6-13-37(15-16-38)25-20(27(29,30)31)7-5-10-32-25/h5,7-10,17-18H,2-4,6,11-16H2,1H3,(H,33,34,35)
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n/an/a 6.32E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358651
PNG
(CHEMBL1921991)
Show SMILES COc1ccc(Nc2cc(Nc3ccccc3)nc(n2)N2CCCCC2)cc1F
Show InChI InChI=1S/C22H24FN5O/c1-29-19-11-10-17(14-18(19)23)25-21-15-20(24-16-8-4-2-5-9-16)26-22(27-21)28-12-6-3-7-13-28/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H2,24,25,26,27)
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n/an/a 6.77E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358668
PNG
(CHEMBL1922019)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCCC(C)C2)cc1
Show InChI InChI=1S/C24H28FN5O2/c1-16-5-4-12-30(15-16)23-14-22(26-18-8-11-21(32-3)20(25)13-18)28-24(29-23)27-17-6-9-19(31-2)10-7-17/h6-11,13-14,16H,4-5,12,15H2,1-3H3,(H2,26,27,28,29)
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n/an/a 6.78E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358658
PNG
(CHEMBL1921999)
Show SMILES COc1ccc(Nc2cc(Nc3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1
Show InChI InChI=1S/C24H26F3N5O2/c1-33-19-12-10-17(11-13-19)28-21-15-22(32-23(31-21)30-16-6-3-2-4-7-16)29-18-8-5-9-20(14-18)34-24(25,26)27/h5,8-16H,2-4,6-7H2,1H3,(H3,28,29,30,31,32)
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n/an/a 6.82E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358671
PNG
(CHEMBL1922023)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C28H29FN6O2/c1-36-23-11-8-20(9-12-23)31-28-32-26(30-21-10-13-25(37-2)24(29)18-21)19-27(33-28)35-16-14-34(15-17-35)22-6-4-3-5-7-22/h3-13,18-19H,14-17H2,1-2H3,(H2,30,31,32,33)
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n/an/a 6.82E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358650
PNG
(CHEMBL1921989)
Show SMILES FC(F)Oc1cccc(Nc2cc(Nc3ccccc3)nc(n2)N2CCCCC2)c1
Show InChI InChI=1S/C22H23F2N5O/c23-21(24)30-18-11-7-10-17(14-18)26-20-15-19(25-16-8-3-1-4-9-16)27-22(28-20)29-12-5-2-6-13-29/h1,3-4,7-11,14-15,21H,2,5-6,12-13H2,(H2,25,26,27,28)
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n/an/a 6.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358648
PNG
(CHEMBL1921902)
Show SMILES COc1ccc(Nc2cc(Nc3ccccc3)nc(n2)N2CCCCC2)cc1
Show InChI InChI=1S/C22H25N5O/c1-28-19-12-10-18(11-13-19)24-21-16-20(23-17-8-4-2-5-9-17)25-22(26-21)27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H2,23,24,25,26)
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n/an/a 8.59E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358652
PNG
(CHEMBL1921992)
Show SMILES COc1ccc(Nc2cc(nc(n2)N2CCCC2)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C25H30N6O/c1-32-22-11-9-20(10-12-22)26-23-19-24(28-25(27-23)31-13-5-6-14-31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-4,7-12,19H,5-6,13-18H2,1H3,(H,26,27,28)
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n/an/a 1.28E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358672
PNG
(CHEMBL1922024)
Show SMILES COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(n2)N2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C28H35FN6O2/c1-36-23-9-6-20(7-10-23)31-28-32-26(30-21-8-11-25(37-2)24(29)18-21)19-27(33-28)35-16-12-22(13-17-35)34-14-4-3-5-15-34/h6-11,18-19,22H,3-5,12-17H2,1-2H3,(H2,30,31,32,33)
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n/an/a 1.60E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358654
PNG
(CHEMBL1921995)
Show SMILES COc1ccc(Nc2cc(Nc3ccc(OC(F)F)cc3)nc(NC3CCCCC3)n2)cc1
Show InChI InChI=1S/C24H27F2N5O2/c1-32-19-11-7-17(8-12-19)27-21-15-22(28-18-9-13-20(14-10-18)33-23(25)26)31-24(30-21)29-16-5-3-2-4-6-16/h7-16,23H,2-6H2,1H3,(H3,27,28,29,30,31)
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n/an/a 2.75E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50358649
PNG
(CHEMBL1921903)
Show SMILES FC(F)(F)Oc1cccc(Nc2cc(Nc3ccccc3)nc(n2)N2CCCCC2)c1
Show InChI InChI=1S/C22H22F3N5O/c23-22(24,25)31-18-11-7-10-17(14-18)27-20-15-19(26-16-8-3-1-4-9-16)28-21(29-20)30-12-5-2-6-13-30/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H2,26,27,28,29)
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n/an/a 3.49E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from GalR1 by gamma counting


Bioorg Med Chem Lett 21: 7210-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.033
BindingDB Entry DOI: 10.7270/Q2JS9QVT
More data for this
Ligand-Target Pair