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PubChem AID 687013

Compile Data Set for Download or QSAR

Found 236 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 3


(HUMAN)
BDBM58401
PNG
(2-tert-butyl-5-[(4-tert-butylbenzyl)thio]-4-chloro...)
Show SMILES CC(C)(C)c1ccc(CSc2cnn(c(=O)c2Cl)C(C)(C)C)cc1
Show InChI InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
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n/an/a 6.57n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97131
PNG
(2-isopropyl-8,9-dimethoxy-1,2,6,6a,12,12a-hexahydr...)
Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)C
Show InChI InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3/t16-,20-,21+/m1/s1
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n/an/a 15.4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM93942
PNG
(Lyngbyastatin 2 | MLS003235796 | SMR001918760 | ci...)
Show SMILES CC[C@H](C)C1N(C)C(=O)\C=C(\OC)/C(/C)=C\C[C@H](C)[C@@H](C)OC(=O)[C@H](C)[C@H](O)CCC[C@@H](CC)OC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](COC)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
Show InChI InChI=1S/C56H94N6O13/c1-18-35(7)49-53(68)60(15)47(33(3)4)52(67)57(12)43(32-72-16)51(66)61-29-21-24-41(61)50(65)59(14)48(34(5)6)54(69)62-30-22-25-42(62)56(71)75-40(19-2)23-20-26-44(63)38(10)55(70)74-39(11)36(8)27-28-37(9)45(73-17)31-46(64)58(49)13/h28,31,33-36,38-44,47-49,63H,18-27,29-30,32H2,1-17H3/b37-28-,45-31+/t35-,36-,38+,39+,40+,41-,42-,43-,44+,47-,48-,49?/m0/s1
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n/an/a 17.1n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97173
PNG
(Dihydrorotenone | MLS002667630 | SMR001557390 | ci...)
Show SMILES COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(C)C
Show InChI InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3
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n/an/a 38.6n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM37434
PNG
(2-[(1-bicyclo[2.2.1]hept-2-yl-1H-tetrazol-5-yl)thi...)
Show SMILES O=C(CSc1nnnn1C1CC2CCC1C2)Nc1ccnc2ccccc12
Show InChI InChI=1S/C19H20N6OS/c26-18(21-16-7-8-20-15-4-2-1-3-14(15)16)11-27-19-22-23-24-25(19)17-10-12-5-6-13(17)9-12/h1-4,7-8,12-13,17H,5-6,9-11H2,(H,20,21,26)
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n/an/a 86.9n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM77550
PNG
((2E)-1-ethyl-6-methyl-2-[(1-prop-2-enyl-2-quinolin...)
Show SMILES CCN1\C(=C\c2ccc3ccccc3[n+]2CC=C)C=Cc2cc(C)ccc12
Show InChI InChI=1S/C25H25N2/c1-4-16-27-23(13-11-20-8-6-7-9-24(20)27)18-22-14-12-21-17-19(3)10-15-25(21)26(22)5-2/h4,6-15,17-18H,1,5,16H2,2-3H3/q+1
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n/an/a>123n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97180
PNG
(2-amino-2-(hydroxymethyl)propane-1,3-diol;7-[3,5-d...)
Show SMILES CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O
Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97184
PNG
(3-(3-pyridyl)-N-veratryl-benzofuran-7-carboxamide ...)
Show SMILES COc1ccc(CNC(=O)c2cccc3c(coc23)-c2cccnc2)cc1OC
Show InChI InChI=1S/C23H20N2O4/c1-27-20-9-8-15(11-21(20)28-2)12-25-23(26)18-7-3-6-17-19(14-29-22(17)18)16-5-4-10-24-13-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)
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n/an/a 126n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97161
PNG
((2Z)-2-[[1-(2-methoxyphenyl)-2,6-dimethyl-4-pyridi...)
Show SMILES COc1ccccc1-[n+]1c(C)cc(\C=C2/Sc3ccccc3N2C)cc1C
Show InChI InChI=1S/C23H23N2OS/c1-16-13-18(15-23-24(3)20-10-6-8-12-22(20)27-23)14-17(2)25(16)19-9-5-7-11-21(19)26-4/h5-15H,1-4H3/q+1
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n/an/a 128n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM64723
PNG
((1-Phenyl-ethyl)-quinazolin-4-yl-amine | 1-phenyle...)
Show SMILES CC(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H15N3/c1-12(13-7-3-2-4-8-13)19-16-14-9-5-6-10-15(14)17-11-18-16/h2-12H,1H3,(H,17,18,19)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM89372
PNG
(1-(4-bromobenzyl)-2-methyl-1H-benzimidazole | 1-(4...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(Br)cc1
Show InChI InChI=1S/C15H13BrN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
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n/an/a 140n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97129
PNG
(MLS000833548 | N-(2,4-difluorophenyl)-4-[5-(triflu...)
Show SMILES Fc1ccc(NC(=S)N2CCCN(CC2)c2ccc(cn2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C18H17F5N4S/c19-13-3-4-15(14(20)10-13)25-17(28)27-7-1-6-26(8-9-27)16-5-2-12(11-24-16)18(21,22)23/h2-5,10-11H,1,6-9H2,(H,25,28)
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n/an/a 142n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM62272
PNG
(MLS-0375912.0001 | N-[1-(4-tert-butylphenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H27N5O/c1-22(2,3)15-8-10-16(11-9-15)27-19-7-5-6-18(17(19)14-24-27)25-21(28)20-12-13-23-26(20)4/h8-14,18H,5-7H2,1-4H3,(H,25,28)
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n/an/a 143n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM48658
PNG
(3-amyl-7-(4-piperonylpiperazine-1-carbonyl)-1H-qui...)
Show SMILES CCCCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H30N4O5/c1-2-3-4-9-30-25(32)20-7-6-19(15-21(20)27-26(30)33)24(31)29-12-10-28(11-13-29)16-18-5-8-22-23(14-18)35-17-34-22/h5-8,14-15H,2-4,9-13,16-17H2,1H3,(H,27,33)
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n/an/a 148n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97110
PNG
((4-bromo-2,5-dimethyl-pyrazol-3-yl)-(4-bromophenyl...)
Show SMILES Cc1nn(C)c(Nc2ccc(Br)cc2)c1Br
Show InChI InChI=1S/C11H11Br2N3/c1-7-10(13)11(16(2)15-7)14-9-5-3-8(12)4-6-9/h3-6,14H,1-2H3
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n/an/a 155n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM89289
PNG
(4-chloranyl-N-[(4-chlorophenyl)methyl]-2,5-dimethy...)
Show SMILES Cc1nn(C)c(C(=O)NCc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C13H13Cl2N3O/c1-8-11(15)12(18(2)17-8)13(19)16-7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3,(H,16,19)
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n/an/a 158n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM94062
PNG
(2-[4-(4-methylphenoxy)phenoxy]-N-(4-pyridyl)acetam...)
Show SMILES Cc1ccc(Oc2ccc(OCC(=O)Nc3ccncc3)cc2)cc1
Show InChI InChI=1S/C20H18N2O3/c1-15-2-4-18(5-3-15)25-19-8-6-17(7-9-19)24-14-20(23)22-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,21,22,23)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97156
PNG
(1-(4-Chloro-benzyl)-2-methyl-1H-benzoimidazole | 1...)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM62270
PNG
(MLS-0380219.0001 | N-[1-(2,4-difluorophenyl)-4,5,6...)
Show SMILES Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
Show InChI InChI=1S/C18H17F2N5O/c1-24-17(7-8-21-24)18(26)23-14-3-2-4-15-12(14)10-22-25(15)16-6-5-11(19)9-13(16)20/h5-10,14H,2-4H2,1H3,(H,23,26)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM60193
PNG
((2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethyl-4-pyridi...)
Show SMILES COc1ccc(cc1)-[n+]1c(C)cc(\C=C2/Sc3ccccc3N2C)cc1C
Show InChI InChI=1S/C23H23N2OS/c1-16-13-18(15-23-24(3)21-7-5-6-8-22(21)27-23)14-17(2)25(16)19-9-11-20(26-4)12-10-19/h5-15H,1-4H3/q+1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97081
PNG
(3-(4-amino-3-nitro-phenyl)-4-methyl-4,5-dihydro-1H...)
Show SMILES CC1CC(=O)N[N-][C+]1c1ccc(N)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O3/c1-6-4-10(16)13-14-11(6)7-2-3-8(12)9(5-7)15(17)18/h2-3,5-6H,4,12H2,1H3,(H,13,16)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97191
PNG
(5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]...)
Show SMILES NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N
Show InChI InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97089
PNG
(MLS000664008 | N-[2-methyl-4-(phenylsulfanylmethyl...)
Show SMILES Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C26H28N2O2S/c1-20-17-22(19-31-24-5-3-2-4-6-24)9-12-25(20)27-26(29)23-10-7-21(8-11-23)18-28-13-15-30-16-14-28/h2-12,17H,13-16,18-19H2,1H3,(H,27,29)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97137
PNG
(2-Methyl-1-(2-methyl-benzyl)-1H-benzoimidazole | 2...)
Show SMILES Cc1nc2ccccc2n1Cc1ccccc1C
Show InChI InChI=1S/C16H16N2/c1-12-7-3-4-8-14(12)11-18-13(2)17-15-9-5-6-10-16(15)18/h3-10H,11H2,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97183
PNG
(MLS003120814 | SMR001273177 | [(2S,6R)-6-[6-(cyclo...)
Show SMILES OC[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2)C[C@@H](O1)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C28H32N6O2/c35-17-24-15-33(14-20-10-12-22(13-11-20)21-6-2-1-3-7-21)16-25(36-24)34-19-31-26-27(29-18-30-28(26)34)32-23-8-4-5-9-23/h1-3,6-7,10-13,18-19,23-25,35H,4-5,8-9,14-17H2,(H,29,30,32)/t24-,25+/m0/s1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97182
PNG
(3-(4-methoxy-2-methyl-phenyl)-N-veratryl-benzofura...)
Show SMILES COc1ccc(-c2coc3c(cccc23)C(=O)NCc2ccc(OC)c(OC)c2)c(C)c1
Show InChI InChI=1S/C26H25NO5/c1-16-12-18(29-2)9-10-19(16)22-15-32-25-20(22)6-5-7-21(25)26(28)27-14-17-8-11-23(30-3)24(13-17)31-4/h5-13,15H,14H2,1-4H3,(H,27,28)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97170
PNG
(2-[6-(benzylamino)purin-9-yl]-1-[4-(2,4,6-trimethy...)
Show SMILES Cc1cc(C)c(CN2CCN(CC2)C(=O)Cn2cnc3c(NCc4ccccc4)ncnc23)c(C)c1
Show InChI InChI=1S/C28H33N7O/c1-20-13-21(2)24(22(3)14-20)16-33-9-11-34(12-10-33)25(36)17-35-19-32-26-27(30-18-31-28(26)35)29-15-23-7-5-4-6-8-23/h4-8,13-14,18-19H,9-12,15-17H2,1-3H3,(H,29,30,31)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97079
PNG
(3-[4-(2-hydroxyethylamino)-3-nitro-phenyl]-4-methy...)
Show SMILES CC1CC(=O)N[N-][C+]1c1ccc(NCCO)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H16N4O4/c1-8-6-12(19)15-16-13(8)9-2-3-10(14-4-5-18)11(7-9)17(20)21/h2-3,7-8,14,18H,4-6H2,1H3,(H,15,19)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97194
PNG
(2-[4-[(2,3-dichlorophenyl)methyl]-1-piperazinyl]-5...)
Show SMILES Clc1cccc(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c1Cl
Show InChI InChI=1S/C22H22Cl2N4/c23-20-8-4-7-19(21(20)24)16-27-9-11-28(12-10-27)22-25-14-18(15-26-22)13-17-5-2-1-3-6-17/h1-8,14-15H,9-13,16H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97057
PNG
(2-(6-Allylamino-purin-9-yl)-5-hydroxymethyl-tetrah...)
Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NCC=C)ncnc12
Show InChI InChI=1S/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97108
PNG
(MLS001007488 | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-...)
Show SMILES COc1ccc(CCNc2ncnc3sccc23)cc1OC
Show InChI InChI=1S/C16H17N3O2S/c1-20-13-4-3-11(9-14(13)21-2)5-7-17-15-12-6-8-22-16(12)19-10-18-15/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,18,19)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97064
PNG
(9-methoxy-4-(4-methyl-1-piperidinyl)-5H-pyrimido[5...)
Show SMILES COc1cccc2[nH]c3c(ncnc3c12)N1CCC(C)CC1
Show InChI InChI=1S/C17H20N4O/c1-11-6-8-21(9-7-11)17-16-15(18-10-19-17)14-12(20-16)4-3-5-13(14)22-2/h3-5,10-11,20H,6-9H2,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM42058
PNG
((2-Cyclohex-1-enyl-ethyl)-(5H-pyrimido[5,4-b]indol...)
Show SMILES C(CC1=CCCCC1)Nc1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C18H20N4/c1-2-6-13(7-3-1)10-11-19-18-17-16(20-12-21-18)14-8-4-5-9-15(14)22-17/h4-6,8-9,12,22H,1-3,7,10-11H2,(H,19,20,21)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97192
PNG
(2-amino-N-(4-phenylbenzyl)quinoline-3-carboxamide ...)
Show SMILES Nc1nc2ccccc2cc1C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c24-22-20(14-19-8-4-5-9-21(19)26-22)23(27)25-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H2,24,26)(H,25,27)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97142
PNG
(2-(4-benzoylphenoxy)-N-(3-pyridinyl)acetamide | 2-...)
Show SMILES O=C(COc1ccc(cc1)C(=O)c1ccccc1)Nc1cccnc1
Show InChI InChI=1S/C20H16N2O3/c23-19(22-17-7-4-12-21-13-17)14-25-18-10-8-16(9-11-18)20(24)15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97063
PNG
(9-methoxy-4-(3-methyl-1-piperidinyl)-5H-pyrimido[5...)
Show SMILES COc1cccc2[nH]c3c(ncnc3c12)N1CCCC(C)C1
Show InChI InChI=1S/C17H20N4O/c1-11-5-4-8-21(9-11)17-16-15(18-10-19-17)14-12(20-16)6-3-7-13(14)22-2/h3,6-7,10-11,20H,4-5,8-9H2,1-2H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97186
PNG
(2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolan...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)c1nc(cs1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H20N2O5S/c24-11-19-17(25)10-18(28-19)21-23-16(12-29-21)20(26)22-13-6-8-15(9-7-13)27-14-4-2-1-3-5-14/h1-9,12,17-19,24-25H,10-11H2,(H,22,26)/t17-,18+,19+/m0/s1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM42438
PNG
((2Z)-3-ethyl-2-[[3-methyl-5-(2-methylphenyl)-1,3-t...)
Show SMILES CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C
Show InChI InChI=1S/C21H21N2S2/c1-4-23-17-11-7-8-12-18(17)24-21(23)13-20-22(3)14-19(25-20)16-10-6-5-9-15(16)2/h5-14H,4H2,1-3H3/q+1
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97148
PNG
(1-N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroind...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1ncc2C(CCCc12)NC(=O)C1(CC1)C(N)=O
Show InChI InChI=1S/C22H28N4O2/c1-21(2,3)14-7-9-15(10-8-14)26-18-6-4-5-17(16(18)13-24-26)25-20(28)22(11-12-22)19(23)27/h7-10,13,17H,4-6,11-12H2,1-3H3,(H2,23,27)(H,25,28)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97164
PNG
(MLS002159131 | N-[(3,4-dimethoxyphenyl)methyl]-N-m...)
Show SMILES COc1ccc(CN(C)c2ccc(cc2[N+]([O-])=O)S(=O)(=O)N2CCN(C)CC2)cc1OC
Show InChI InChI=1S/C21H28N4O6S/c1-22-9-11-24(12-10-22)32(28,29)17-6-7-18(19(14-17)25(26)27)23(2)15-16-5-8-20(30-3)21(13-16)31-4/h5-8,13-14H,9-12,15H2,1-4H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM64718
PNG
(MLS001000456 | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-...)
Show SMILES COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
Show InChI InChI=1S/C17H19N3O2S/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM89400
PNG
(2-[1-[5-(5-isoquinolyloxymethyl)isoxazole-3-carbon...)
Show SMILES CCOC(=O)CC1CCCCN1C(=O)c1cc(COc2cccc3cnccc23)on1
Show InChI InChI=1S/C23H25N3O5/c1-2-29-22(27)12-17-7-3-4-11-26(17)23(28)20-13-18(31-25-20)15-30-21-8-5-6-16-14-24-10-9-19(16)21/h5-6,8-10,13-14,17H,2-4,7,11-12,15H2,1H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97158
PNG
(MLS001156746 | N-[3-(diethylsulfamoyl)-4-methyl-ph...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCOCC2)ccc1C
Show InChI InChI=1S/C23H32N4O6S2/c1-4-26(5-2)35(31,32)22-16-20(10-9-18(22)3)25-23(28)17-24-19-7-6-8-21(15-19)34(29,30)27-11-13-33-14-12-27/h6-10,15-16,24H,4-5,11-14,17H2,1-3H3,(H,25,28)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM48349
PNG
(2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)su...)
Show SMILES O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12
Show InChI InChI=1S/C24H17N5OS3/c30-21-13-17(25-23-29(21)18-9-4-5-10-19(18)33-23)15-32-24-27-26-22(20-11-6-12-31-20)28(24)14-16-7-2-1-3-8-16/h1-13H,14-15H2
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97178
PNG
(MLS002702299 | SMR001565861 | [3,4,5-triacetyloxy-...)
Show SMILES CC(=O)OCC1OC(C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)n1c(S)c(C#N)c(-c2ccccc2)c(C#N)c1=O
Show InChI InChI=1S/C27H25N3O10S/c1-13(31)36-12-20-22(37-14(2)32)23(38-15(3)33)24(39-16(4)34)26(40-20)30-25(35)18(10-28)21(19(11-29)27(30)41)17-8-6-5-7-9-17/h5-9,20,22-24,26,41H,12H2,1-4H3
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM89268
PNG
(4-(2,4-dichlorophenyl)-2-(2-phenylethanoylamino)th...)
Show SMILES NC(=O)c1c(NC(=O)Cc2ccccc2)scc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H14Cl2N2O2S/c20-12-6-7-13(15(21)9-12)14-10-26-19(17(14)18(22)25)23-16(24)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H2,22,25)(H,23,24)
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PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM78362
PNG
((5Z)-2-(2-chloroanilino)-5-(2-methoxy-3-nitro-benz...)
Show SMILES COc1c(\C=C2/S\C([N-]C2=O)=[NH+]\c2ccccc2Cl)cccc1[N+]([O-])=O
Show InChI InChI=1S/C17H12ClN3O4S/c1-25-15-10(5-4-8-13(15)21(23)24)9-14-16(22)20-17(26-14)19-12-7-3-2-6-11(12)18/h2-9H,1H3,(H,19,20,22)/b14-9-
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n/an/a 547n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97096
PNG
(4-chloranyl-3-ethoxy-N-(pyridin-4-ylmethyl)benzene...)
Show SMILES CCOc1cc(ccc1Cl)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C14H15ClN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3
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n/an/a 581n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM97172
PNG
((5-amino-6-chloro-pyrimidin-4-yl)-[2-(p-tolyl)ethy...)
Show SMILES Cc1ccc(CCNc2ncnc(Cl)c2N)cc1
Show InChI InChI=1S/C13H15ClN4/c1-9-2-4-10(5-3-9)6-7-16-13-11(15)12(14)17-8-18-13/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%