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PubMed code 16570912

Compile data set for download or QSAR
Found 24 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
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184850
PNG
(CHEMBL534938 | N'-[2-(4-fluorophenyl)allyl]-N-meth...)
Show SMILES CNNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C10H13FN2/c1-8(7-13-12-2)9-3-5-10(11)6-4-9/h3-6,12-13H,1,7H2,2H3
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n/an/a 1.70n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184849
PNG
(CHEMBL536057 | N'-(2-phenylallyl)hydrazine hydroch...)
Show SMILES NNCC(=C)c1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,11H,1,7,10H2
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n/an/a 2n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184847
PNG
(CHEMBL538327 | N'-[2-(4-fluorophenyl)allyl]-N-ethy...)
Show SMILES CCNNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2/c1-3-13-14-8-9(2)10-4-6-11(12)7-5-10/h4-7,13-14H,2-3,8H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184853
PNG
(CHEMBL536060 | N'-[2-(4-chlorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184848
PNG
(CHEMBL553631 | N'-[2-(2-methylphenyl)allyl]hydrazi...)
Show SMILES Cc1ccccc1C(=C)CNN
Show InChI InChI=1S/C10H14N2/c1-8-5-3-4-6-10(8)9(2)7-12-11/h3-6,12H,2,7,11H2,1H3
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n/an/a 4n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184843
PNG
(CHEMBL556769 | N'-[(E)-(2-phenyl-3-fluoroallyl)]hy...)
Show SMILES NNC\C(=C\F)c1ccccc1
Show InChI InChI=1S/C9H11FN2/c10-6-9(7-12-11)8-4-2-1-3-5-8/h1-6,12H,7,11H2/b9-6-
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n/an/a 5n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184844
PNG
(CHEMBL536059 | N'-[2-(4-fluorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C9H11FN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 6.10n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184846
PNG
(CHEMBL540369 | N'-[2-(4-fluorophenyl)allyl]-N'-met...)
Show SMILES CN(N)CC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C10H13FN2/c1-8(7-13(2)12)9-3-5-10(11)6-4-9/h3-6H,1,7,12H2,2H3
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n/an/a 240n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184845
PNG
(CHEMBL559381 | N'-[2-(4-fluorophenyl)allyl]-N'-iso...)
Show SMILES CC(C)N(N)CC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C12H17FN2/c1-9(2)15(14)8-10(3)11-4-6-12(13)7-5-11/h4-7,9H,3,8,14H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184851
PNG
(CHEMBL557373 | N'-[2-(4-fluorophenyl)allyl]-N'-eth...)
Show SMILES CCN(N)CC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2/c1-3-14(13)8-9(2)10-4-6-11(12)7-5-10/h4-7H,2-3,8,13H2,1H3
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n/an/a 630n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50184843
PNG
(CHEMBL556769 | N'-[(E)-(2-phenyl-3-fluoroallyl)]hy...)
Show SMILES NNC\C(=C\F)c1ccccc1
Show InChI InChI=1S/C9H11FN2/c10-6-9(7-12-11)8-4-2-1-3-5-8/h1-6,12H,7,11H2/b9-6-
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n/an/a 650n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184855
PNG
(CHEMBL536740 | N'-[2-(4-fluorophenyl)allyl]-N-benz...)
Show SMILES Fc1ccc(cc1)C(=C)CNNCc1ccccc1
Show InChI InChI=1S/C16H17FN2/c1-13(15-7-9-16(17)10-8-15)11-18-19-12-14-5-3-2-4-6-14/h2-10,18-19H,1,11-12H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184842
PNG
(CHEMBL534491 | N'-[2-(4-fluorophenyl)allyl]-N-isop...)
Show SMILES CC(C)NNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C12H17FN2/c1-9(2)15-14-8-10(3)11-4-6-12(13)7-5-11/h4-7,9,14-15H,3,8H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184852
PNG
(CHEMBL536509 | N'-[2-(4-fluorophenyl)allyl]-N'-ben...)
Show SMILES NN(CC(=C)c1ccc(F)cc1)Cc1ccccc1
Show InChI InChI=1S/C16H17FN2/c1-13(15-7-9-16(17)10-8-15)11-19(18)12-14-5-3-2-4-6-14/h2-10H,1,11-12,18H2
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La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50184853
PNG
(CHEMBL536060 | N'-[2-(4-chlorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50184849
PNG
(CHEMBL536057 | N'-(2-phenylallyl)hydrazine hydroch...)
Show SMILES NNCC(=C)c1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,11H,1,7,10H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50184848
PNG
(CHEMBL553631 | N'-[2-(2-methylphenyl)allyl]hydrazi...)
Show SMILES Cc1ccccc1C(=C)CNN
Show InChI InChI=1S/C10H14N2/c1-8-5-3-4-6-10(8)9(2)7-12-11/h3-6,12H,2,7,11H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184854
PNG
(CHEMBL536510 | N'-[2-(4-chlorophenyl)allyl]-N,N'-d...)
Show SMILES CNN(C)CC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H15ClN2/c1-9(8-14(3)13-2)10-4-6-11(12)7-5-10/h4-7,13H,1,8H2,2-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50184843
PNG
(CHEMBL556769 | N'-[(E)-(2-phenyl-3-fluoroallyl)]hy...)
Show SMILES NNC\C(=C\F)c1ccccc1
Show InChI InChI=1S/C9H11FN2/c10-6-9(7-12-11)8-4-2-1-3-5-8/h1-6,12H,7,11H2/b9-6-
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n/an/a 2.80E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM50184844
PNG
(CHEMBL536059 | N'-[2-(4-fluorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C9H11FN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50184853
PNG
(CHEMBL536060 | N'-[2-(4-chlorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 2.45E+4n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50184849
PNG
(CHEMBL536057 | N'-(2-phenylallyl)hydrazine hydroch...)
Show SMILES NNCC(=C)c1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,11H,1,7,10H2
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n/an/a 7.10E+4n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50184844
PNG
(CHEMBL536059 | N'-[2-(4-fluorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C9H11FN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 8.10E+4n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B


J Med Chem 49: 2166-73 (2006)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50184848
PNG
(CHEMBL553631 | N'-[2-(2-methylphenyl)allyl]hydrazi...)
Show SMILES Cc1ccccc1C(=C)CNN
Show InChI InChI=1S/C10H14N2/c1-8-5-3-4-6-10(8)9(2)7-12-11/h3-6,12H,2,7,11H2,1H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B


J Med Chem 49: 2166-73 (2006)

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