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PubMed code 1433219

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
Monoamine oxidase


(Bos taurus)
BDBM50003595
PNG
(4-Ethynyl-1-methyl-1,2,3,6-tetrahydro-pyridine | C...)
Show SMILES CN1CCC(=CC1)C#C
Show InChI InChI=1S/C8H11N/c1-3-8-4-6-9(2)7-5-8/h1,4H,5-7H2,2H3
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1.54E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003600
PNG
(4-Phenyl-1-prop-2-ynyl-1,2,3,6-tetrahydro-pyridine...)
Show SMILES C#CCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C14H15N/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13/h1,3-8H,9-12H2
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PubMed
1.72E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B) was determined at a concentration of 50-100 microM


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003597
PNG
(1-Cyclopentyl-4-phenyl-1,2,3,6-tetrahydro-pyridine...)
Show SMILES C1CCC(C1)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C16H21N/c1-2-6-14(7-3-1)15-10-12-17(13-11-15)16-8-4-5-9-16/h1-3,6-7,10,16H,4-5,8-9,11-13H2
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1.73E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003596
PNG
(1-Allyl-4-phenyl-1,2,3,6-tetrahydro-pyridine | 1-a...)
Show SMILES C=CCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C14H17N/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13/h2-8H,1,9-12H2
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2.68E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50453314
PNG
(CHEMBL2372410)
Show SMILES C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O
Show InChI InChI=1S/C31H43N5O7S2/c1-17-25(38)34-22(16-18-9-7-6-8-10-18)27(40)36-24(29(42)43)31(4,5)45-44-30(2,3)23(28(41)33-17)35-26(39)21(32)15-19-11-13-20(37)14-12-19/h6-14,17,21-24,29,37,42-43H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t17-,21-,22-,23+,24+/m0/s1
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3.12E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003598
PNG
(1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine | CHE...)
Show SMILES CN1CCC(C=C)=CC1
Show InChI InChI=1S/C8H13N/c1-3-8-4-6-9(2)7-5-8/h3-4H,1,5-7H2,2H3
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3.30E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003592
PNG
(1-Methyl-4-phenylethynyl-1,2,3,6-tetrahydro-pyridi...)
Show SMILES CN1CCC(=CC1)C#Cc1ccccc1
Show InChI InChI=1S/C14H15N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9H,10-12H2,1H3
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8.20E+5n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003599
PNG
(1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | CHE...)
Show SMILES CN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
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PubMed
5.00E+6n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B).


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50003594
PNG
(4-Phenyl-1-propyl-1,2,3,6-tetrahydro-pyridine | 4-...)
Show SMILES CCCN1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C14H19N/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13/h3-8H,2,9-12H2,1H3
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PubMed
5.00E+6n/an/an/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against monoamine Oxidase(MAO-B) was determined at a concentration of 300-1500 microM


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%