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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 147.2
BDBM23981
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Wt: 148.1
BDBM23985
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Wt: 164.2
BDBM23986
Wt: 163.1
BDBM23987
Wt: 162.1
BDBM23988
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Wt: 146.1
BDBM23989
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Wt: 162.1
BDBM23990
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Wt: 161.2
BDBM23973
Wt: 133.1
BDBM32212
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Wt: 151.5
BDBM50294169
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Wt: 135.1
BDBM50294170
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Wt: 147.1
BDBM50336493
Wt: 175.2
BDBM50336494
Wt: 175.2
BDBM50336495
Wt: 175.2
BDBM50397948
Displayed 1 to 15 (of 750 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 84 hits in this display   
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
Aminopeptidase N


(Homo sapiens)
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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500n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of human aminopeptidase N by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.008
BindingDB Entry DOI: 10.7270/Q2G44QJQ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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500n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50397948
PNG
(CHEMBL2179975)
Show SMILES N[C@H]1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2/t10-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of pig APN using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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1.00E+3n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of human aminopeptidase N by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.008
BindingDB Entry DOI: 10.7270/Q2G44QJQ
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney APN using L-leucine para-notroanilide as substrate assessed as release of para-nitroaniline by Dixon plot analysis


Bioorg Med Chem 21: 6447-55 (2013)


Article DOI: 10.1016/j.bmc.2013.08.044
BindingDB Entry DOI: 10.7270/Q2PR7XF2
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50397948
PNG
(CHEMBL2179975)
Show SMILES N[C@H]1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2/t10-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Mus musculus)
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectriphotometric analysis


Bioorg Med Chem 21: 2135-44 (2013)


Article DOI: 10.1016/j.bmc.2012.12.038
BindingDB Entry DOI: 10.7270/Q2CZ38J9
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM23986
PNG
(3,4-dihydro-1H-2-benzothiopyran-3-one | isothiochr...)
Show SMILES O=C1Cc2ccccc2CS1
Show InChI InChI=1S/C9H8OS/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
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4.00E+3n/an/an/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM23987
PNG
(2-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-one | CH...)
Show SMILES ON1Cc2ccccc2CC1=O
Show InChI InChI=1S/C9H9NO2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,12H,5-6H2
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4.00E+3n/an/an/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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6.80E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transferase


J Med Chem 32: 478-86 (1989)


Article DOI: 10.1021/jm00122a032
BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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1.11E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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1.50E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity of the compound to phenylethanolamine N-methyltransferase(PNMT) in bovine


J Med Chem 31: 169-71 (1988)


Article DOI: 10.1021/jm00396a026
BindingDB Entry DOI: 10.7270/Q23J3BZW
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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1.50E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay


J Med Chem 30: 2191-208 (1988)


Article DOI: 10.1021/jm00395a005
BindingDB Entry DOI: 10.7270/Q2H41S10
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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1.50E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 433-44 (1988)


Article DOI: 10.1021/jm00397a029
BindingDB Entry DOI: 10.7270/Q2NG4R6N
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50336493
PNG
(1-Aminoindan-2-one, hydrochloride | CHEMBL1668624)
Show SMILES NC1C(=O)Cc2ccccc12
Show InChI InChI=1S/C9H9NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,9H,5,10H2
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2.00E+4n/an/an/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of human aminopeptidase N by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.008
BindingDB Entry DOI: 10.7270/Q2G44QJQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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3.98E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM23990
PNG
(3-amino-1,2,3,4-tetrahydroquinolin-2-one hydrochlo...)
Show SMILES NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-4,7H,5,10H2,(H,11,12)
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8.00E+4n/an/an/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney cytosolic leucine aminopeptidase using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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1.20E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of pig APN using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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9.00E+5n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas proteolytica aminopeptidase using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis


Bioorg Med Chem 19: 5716-33 (2011)


Article DOI: 10.1016/j.bmc.2011.06.089
BindingDB Entry DOI: 10.7270/Q2805307
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM50397948
PNG
(CHEMBL2179975)
Show SMILES N[C@H]1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2/t10-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrate by spectrophotometric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrate by spectrophotometric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50397948
PNG
(CHEMBL2179975)
Show SMILES N[C@H]1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2/t10-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophootmetric analysis


Bioorg Med Chem 20: 4942-53 (2012)


Article DOI: 10.1016/j.bmc.2012.06.041
BindingDB Entry DOI: 10.7270/Q2RB75Q1
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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n/an/a 500n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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n/an/a 9.71E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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n/an/a 6.80E+4n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation


Bioorg Med Chem Lett 19: 4178-82 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.115
BindingDB Entry DOI: 10.7270/Q2BR8S70
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM32212
PNG
(1H-indol-5-ol | cid_16054)
Show SMILES Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
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n/an/a 8.02E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM23987
PNG
(2-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-one | CH...)
Show SMILES ON1Cc2ccccc2CC1=O
Show InChI InChI=1S/C9H9NO2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,12H,5-6H2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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n/an/a 1.20E+5n/an/an/an/an/an/a



Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France.

Curated by ChEMBL


Assay Description
Inhibition of bovine lens cytosolic leucine aminopeptidase by Dixon plot analysis


Bioorg Med Chem 19: 1434-49 (2011)


Article DOI: 10.1016/j.bmc.2011.01.008
BindingDB Entry DOI: 10.7270/Q2G44QJQ
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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n/an/a 1.20E+5n/an/an/an/a8.030



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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n/an/a 1.30E+5n/an/an/an/a8.030



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM23988
PNG
(2-amino-1,2,3,4-tetrahydroisoquinolin-3-one | N-Su...)
Show SMILES NN1Cc2ccccc2CC1=O
Show InChI InChI=1S/C9H10N2O/c10-11-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2
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n/an/a 7.40E+5n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
BDBM50336495
PNG
(7-Amino-5,7,8,9-tetrahydro-benzocyclohepten-6-one,...)
Show SMILES NC1CCc2ccccc2CC1=O
Show InChI InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
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n/an/a 9.00E+5n/an/an/an/an/an/a



Universit£ de Haute Alsace

Curated by ChEMBL


Assay Description
Inhibition of Aeromonas proteolytica leucyl aminopeptidase using L-leucine para-notroanilide as substrate assessed as release of para-nitroaniline by...


Bioorg Med Chem 21: 6447-55 (2013)


Article DOI: 10.1016/j.bmc.2013.08.044
BindingDB Entry DOI: 10.7270/Q2PR7XF2
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23990
PNG
(3-amino-1,2,3,4-tetrahydroquinolin-2-one hydrochlo...)
Show SMILES NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-4,7H,5,10H2,(H,11,12)
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23973
PNG
(3-amino-1,2,3,4-tetrahydronaphthalen-2-one hydroch...)
Show SMILES NC1Cc2ccccc2CC1=O
Show InChI InChI=1S/C10H11NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,9H,5-6,11H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23985
PNG
(3,4-dihydro-1H-2-benzopyran-3-one | isochromanone,...)
Show SMILES O=C1Cc2ccccc2CO1
Show InChI InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23986
PNG
(3,4-dihydro-1H-2-benzothiopyran-3-one | isothiochr...)
Show SMILES O=C1Cc2ccccc2CS1
Show InChI InChI=1S/C9H8OS/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23987
PNG
(2-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-one | CH...)
Show SMILES ON1Cc2ccccc2CC1=O
Show InChI InChI=1S/C9H9NO2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-4,12H,5-6H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23988
PNG
(2-amino-1,2,3,4-tetrahydroisoquinolin-3-one | N-Su...)
Show SMILES NN1Cc2ccccc2CC1=O
Show InChI InChI=1S/C9H10N2O/c10-11-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM23990
PNG
(3-amino-1,2,3,4-tetrahydroquinolin-2-one hydrochlo...)
Show SMILES NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-4,7H,5,10H2,(H,11,12)
PDB
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PC cid
PC sid
UniChem

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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
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