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PubMed code 16789730

Compile data set for download or QSAR
Found 9 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)
BDBM50187923
PNG
(1,3-dihydro-1-phenyl-3-[[3-(trilfluoromethyl)pheny...)
Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+
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Article
PubMed
17n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM50189598
PNG
(1-(ethylpropyl)-3-{[3-(trifluoromethyl)phenyl]azam...)
Show SMILES CCC(CC)N1C(=O)\C(=N\c2ccc(cc2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C20H19F3N2O/c1-3-15(4-2)25-17-8-6-5-7-16(17)18(19(25)26)24-14-11-9-13(10-12-14)20(21,22)23/h5-12,15H,3-4H2,1-2H3/b24-18+
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PubMed
52n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50187923
PNG
(1,3-dihydro-1-phenyl-3-[[3-(trilfluoromethyl)pheny...)
Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+
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PubMed
72n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT4


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM50189596
PNG
(1-(2-propynyl)-3-{[3-(trifluoromethyl)phenyl]azame...)
Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(CC#C)c2ccccc12
Show InChI InChI=1S/C18H11F3N2O/c1-2-10-23-15-9-4-3-8-14(15)16(17(23)24)22-13-7-5-6-12(11-13)18(19,20)21/h1,3-9,11H,10H2/b22-16+
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PubMed
89n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM50189600
PNG
((E)-1-allyl-3-(3,4-dichlorophenylimino)indolin-2-o...)
Show SMILES Clc1ccc(cc1Cl)\N=C1\C(=O)N(CC=C)c2ccccc12
Show InChI InChI=1S/C17H12Cl2N2O/c1-2-9-21-15-6-4-3-5-12(15)16(17(21)22)20-11-7-8-13(18)14(19)10-11/h2-8,10H,1,9H2/b20-16+
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PubMed
150n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM50189597
PNG
((E)-3-(2,3-dichlorophenylimino)indolin-2-one | CHE...)
Show SMILES Clc1cccc(\N=C2\C(=O)Nc3ccccc23)c1Cl
Show InChI InChI=1S/C14H8Cl2N2O/c15-9-5-3-7-11(12(9)16)17-13-8-4-1-2-6-10(8)18-14(13)19/h1-7H,(H,17,18,19)
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437n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM50189595
PNG
(3-{[3-(trifluoromethyl)phenyl]azamethylene}benzo[d...)
Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)20-14(13)21/h1-8H,(H,19,20,21)
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PubMed
596n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM50189599
PNG
((E)-3-(4-chlorophenylimino)indolin-2-one | CHEMBL2...)
Show SMILES Clc1ccc(cc1)\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H9ClN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
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PubMed
850n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
Galanin receptor 3


(HUMAN)
BDBM50189601
PNG
((E)-3-(4-methoxyphenylimino)indolin-2-one | (E/Z)-...)
Show SMILES COc1ccc(cc1)\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]galanin from human GAL3


J Med Chem 49: 3757-8 (2006)


Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%