Found 4 hits Enz. Inhib. hit(s) with Target = 'Galanin receptor type 1' and Ligand = 'BDBM50378616' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Galanin receptor type 1
(Homo sapiens (Human)) | BDBM50378616
(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
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description
Binding affinity to human GalR1 |
J Med Chem 53: 1871-5 (2010)
Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ |
More data for this
Ligand-Target Pair | |
Galanin receptor type 1
(Homo sapiens (Human)) | BDBM50378616
(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
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50378616
(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/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/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
(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/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Search and Browse
