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PubMed code 21405023

Compile data set for download or QSAR
Found 8 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
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341609
PNG
((R)-2-Hydrazino-1-phenylethanol | CHEMBL1766380)
Show SMILES NNC[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C8H12N2O/c9-10-6-8(11)7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2/t8-/m0/s1
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341610
PNG
((S)-2-Hydrazino-1-phenylethanol | CHEMBL1766381)
Show SMILES NNC[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C8H12N2O/c9-10-6-8(11)7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2/t8-/m1/s1
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PC cid
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341613
PNG
((1R,2S)-2-(1-Methylhydrazino)-1,2-diphenylethanol ...)
Show SMILES CN(N)[C@H]([C@H](O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15+/m0/s1
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Article
PubMed
n/an/a 280n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341616
PNG
((1S,2R)-2-(1-Methylhydrazino)-1,2-diphenylethanol ...)
Show SMILES CN(N)[C@@H]([C@@H](O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15+/m1/s1
PDB
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KEGG

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Article
PubMed
n/an/a 330n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341615
PNG
((1R,2R)-2-(1-Methylhydrazino)-1,2-diphenylethanol ...)
Show SMILES CN(N)[C@@H]([C@H](O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15-/m1/s1
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KEGG

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Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341614
PNG
((1S,2S)-2-(1-Methylhydrazino)-1,2-diphenylethanol ...)
Show SMILES CN(N)[C@H]([C@@H](O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15-/m0/s1
PDB
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Article
PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341612
PNG
(2-Hydrazino-1-phenylpentanol | CHEMBL1766383)
Show SMILES CCCC(NN)C(O)c1ccccc1
Show InChI InChI=1S/C11H18N2O/c1-2-6-10(13-12)11(14)9-7-4-3-5-8-9/h3-5,7-8,10-11,13-14H,2,6,12H2,1H3
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50341611
PNG
((1R*,2S*)-2-Hydrazino-1,2-diphenylethanol | CHEMBL...)
Show SMILES NN[C@H]([C@H](O)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C14H16N2O/c15-16-13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10,13-14,16-17H,15H2/t13-,14+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Jyva£skyla£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 54: 2143-54 (2011)


Article DOI: 10.1021/jm200059p
BindingDB Entry DOI: 10.7270/Q2JH3MH2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%