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PubChem AID 1050

Compile data set for download or QSAR
Found 11 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 2


(HUMAN)
BDBM50004233
PNG
(5,11-dimethyl-2H-pyrido[4,3-b]carbazole | CHEMBL12...)
Show SMILES Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41949
PNG
((E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazoly...)
Show SMILES C=CCNC(=O)C(=C\c1cn(nc1-c1cccs1)-c1ccccc1)\C#N
Show InChI InChI=1S/C20H16N4OS/c1-2-10-22-20(25)15(13-21)12-16-14-24(17-7-4-3-5-8-17)23-19(16)18-9-6-11-26-18/h2-9,11-12,14H,1,10H2,(H,22,25)/b15-12+
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n/an/an/an/a 4.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41953
PNG
(4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N'-(4-methy...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
Show InChI InChI=1S/C22H26N4O3S2/c1-14-11-15(2)13-26(12-14)31(28,29)18-9-7-17(8-10-18)21(27)24-25-22-23-20-16(3)5-4-6-19(20)30-22/h4-10,14-15H,11-13H2,1-3H3,(H,23,25)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41954
PNG
(MLS000696560 | N'-(4,6-dimethyl-1,3-benzothiazol-2...)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cc(C)cc2s1
Show InChI InChI=1S/C22H26N4O3S2/c1-14-5-4-10-26(13-14)31(28,29)18-8-6-17(7-9-18)21(27)24-25-22-23-20-16(3)11-15(2)12-19(20)30-22/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,25)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41951
PNG
(MLS000696629 | N'-(4,6-dimethyl-1,3-benzothiazol-2...)
Show SMILES CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cc(C)cc2s1
Show InChI InChI=1S/C23H28N4O3S2/c1-14-10-17(4)21-20(11-14)31-23(24-21)26-25-22(28)18-5-7-19(8-6-18)32(29,30)27-12-15(2)9-16(3)13-27/h5-8,10-11,15-16H,9,12-13H2,1-4H3,(H,24,26)(H,25,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41955
PNG
(5-bromanyl-2-ethoxy-N-[4-(2-methylpropylcarbamoyl)...)
Show SMILES CCOc1ccc(Br)cc1C(=O)Nc1ccc(cc1)C(=O)NCC(C)C
Show InChI InChI=1S/C20H23BrN2O3/c1-4-26-18-10-7-15(21)11-17(18)20(25)23-16-8-5-14(6-9-16)19(24)22-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41952
PNG
(MLS000696579 | N'-(4-methyl-1,3-benzothiazol-2-yl)...)
Show SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
Show InChI InChI=1S/C21H24N4O3S2/c1-14-5-4-12-25(13-14)30(27,28)17-10-8-16(9-11-17)20(26)23-24-21-22-19-15(2)6-3-7-18(19)29-21/h3,6-11,14H,4-5,12-13H2,1-2H3,(H,22,24)(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM34796
PNG
(5-isopropyl-2-methyl-4-{[(phenylsulfonyl)oxy]imino...)
Show SMILES CC(=C)c1cc(O)c(C)cc1NOS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H17NO4S/c1-11(2)14-10-16(18)12(3)9-15(14)17-21-22(19,20)13-7-5-4-6-8-13/h4-10,17-18H,1H2,2-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41947
PNG
((-)-BEBEERINE | MLS000069827 | SMR000058852 | bebe...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
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n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41950
PNG
(2,5-Bis-ethylaminomethyl-1,6-bis-(4-propoxy-phenyl...)
Show SMILES CCCOc1ccc(cc1)C(=O)C(CCC(CNCC)C(=O)c1ccc(OCCC)cc1)CNCC
Show InChI InChI=1S/C30H44N2O4/c1-5-19-35-27-15-11-23(12-16-27)29(33)25(21-31-7-3)9-10-26(22-32-8-4)30(34)24-13-17-28(18-14-24)36-20-6-2/h11-18,25-26,31-32H,5-10,19-22H2,1-4H3
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n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
Galanin receptor 2


(HUMAN)
BDBM41948
PNG
(5-(2,5-dichlorophenyl)-N-(5-methyl-2,1,3-benzothia...)
Show SMILES Cc1ccc2nsnc2c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H11Cl2N3O2S/c1-9-2-5-13-17(23-26-22-13)16(9)21-18(24)15-7-6-14(25-15)11-8-10(19)3-4-12(11)20/h2-8H,1H3,(H,21,24)
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n/an/an/an/a>5.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29885DN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%