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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 146.1
BDBM23989
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Wt: 138.2
BDBM50002026
Wt: 134.2
BDBM50002027
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Wt: 129.2
BDBM50008429
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Wt: 125.0
BDBM50017377
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Wt: 133.2
BDBM50022748
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Wt: 117.1
BDBM50022749
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Wt: 131.2
BDBM50022753
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Wt: 139.0
BDBM50024604
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Wt: 101.9
BDBM50067884
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Wt: 107.0
BDBM50078124
Wt: 91.1
BDBM50078126
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Wt: 133.2
BDBM50078133
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Wt: 127.1
BDBM50336496
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Wt: 140.0
BDBM50170885
Displayed 1 to 15 (of 1331 total )  |  Next  |  Last  >>

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

Found 41 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


(Sus scrofa (Pig))
BDBM50022748
PNG
(2-Amino-4-methyl-pentane-1-thiol | CHEMBL69349)
Show SMILES CC(C)C[C@@H](N)CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Aminopeptidase M


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078133
PNG
((S)-2-Amino-4-methyl-pentane-1-thiol | 2-Amino-4-m...)
Show SMILES CC(C)C[C@H](N)CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
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22n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of pig kidney Aminopeptidase N


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078126
PNG
((S)-2-Amino-propane-1-thiol | CHEMBL37279)
Show SMILES C[C@H](N)CS
Show InChI InChI=1S/C3H9NS/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
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28n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of pig kidney Aminopeptidase N


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair
Aminopeptidase B


(Rattus norvegicus)
BDBM50022748
PNG
(2-Amino-4-methyl-pentane-1-thiol | CHEMBL69349)
Show SMILES CC(C)C[C@@H](N)CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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130n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase B


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50170885
PNG
(CHEMBL3806121)
Show SMILES NCC(N)P(O)(O)=O
Show InChI InChI=1S/C2H9N2O3P/c3-1-2(4)8(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
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2.88E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured f...


Eur J Med Chem 117: 187-96 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.018
BindingDB Entry DOI: 10.7270/Q2BC41F8
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50024604
PNG
(1-Ammonium-propane-1-phosphonic acid anion | 1-ami...)
Show SMILES CCC([NH3+])P(O)([O-])=O
Show InChI InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
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3.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Leucine aminopeptidase isolated from porcine kidney; Inhibitor exhibits slow-binding behavior(k on <=1000Me-1Se...


J Med Chem 30: 1603-9 (1987)


Article DOI: 10.1021/jm00392a014
BindingDB Entry DOI: 10.7270/Q2W66MCD
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078124
PNG
((1-Amino-ethyl)-phosphinic acid | CHEMBL37702)
Show SMILES CC(=N)P(O)O
Show InChI InChI=1S/C2H6NO2P/c1-2(3)6(4)5/h3-5H,1H3
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8.40E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of pig kidney Aminopeptidase N


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



Loyola University

Curated by ChEMBL


Assay Description
Inhibition of AAP


Bioorg Med Chem Lett 19: 6350-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.077
BindingDB Entry DOI: 10.7270/Q2833T06
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50170885
PNG
(CHEMBL3806121)
Show SMILES NCC(N)P(O)(O)=O
Show InChI InChI=1S/C2H9N2O3P/c3-1-2(4)8(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
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1.06E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition mea...


Eur J Med Chem 117: 187-96 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.018
BindingDB Entry DOI: 10.7270/Q2BC41F8
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens)
BDBM50170885
PNG
(CHEMBL3806121)
Show SMILES NCC(N)P(O)(O)=O
Show InChI InChI=1S/C2H9N2O3P/c3-1-2(4)8(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
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1.69E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50170885
PNG
(CHEMBL3806121)
Show SMILES NCC(N)P(O)(O)=O
Show InChI InChI=1S/C2H9N2O3P/c3-1-2(4)8(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
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1.90E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney alanyl aminopeptidase M1 using L-leucine p-nitro-anilide as substrate by spectrophotometric analysis


Eur J Med Chem 117: 187-96 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.018
BindingDB Entry DOI: 10.7270/Q2BC41F8
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Northwestern University Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against E. coli AmpC beta-lactamase.


J Med Chem 41: 4577-86 (1998)


Article DOI: 10.1021/jm980343w
BindingDB Entry DOI: 10.7270/Q22N51FX
More data for this
Ligand-Target Pair
Aminopeptidase B


(Rattus norvegicus)
BDBM50022753
PNG
(3-Amino-5-methyl-hexan-2-ol | CHEMBL68511)
Show SMILES CC(C)C[C@H](N)C(C)O
Show InChI InChI=1S/C7H17NO/c1-5(2)4-7(8)6(3)9/h5-7,9H,4,8H2,1-3H3/t6?,7-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase B


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50017377
PNG
((1-Amino-ethyl)-phosphonic acid | 1-Ammonium-ethan...)
Show SMILES CC(N)P(O)(O)=O
Show InChI InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)
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2.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Leucine aminopeptidase isolated from porcine kidney.


J Med Chem 30: 1603-9 (1987)


Article DOI: 10.1021/jm00392a014
BindingDB Entry DOI: 10.7270/Q2W66MCD
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens)
BDBM50170885
PNG
(CHEMBL3806121)
Show SMILES NCC(N)P(O)(O)=O
Show InChI InChI=1S/C2H9N2O3P/c3-1-2(4)8(5,6)7/h2H,1,3-4H2,(H2,5,6,7)
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>2.50E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis


Bioorg Med Chem Lett 26: 4122-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50022753
PNG
(3-Amino-5-methyl-hexan-2-ol | CHEMBL68511)
Show SMILES CC(C)C[C@H](N)C(C)O
Show InChI InChI=1S/C7H17NO/c1-5(2)4-7(8)6(3)9/h5-7,9H,4,8H2,1-3H3/t6?,7-/m0/s1
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3.55E+5n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Aminopeptidase M


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50008429
PNG
((3S)-3-amino-5-methylhexan-2-one | 3-Amino-5-methy...)
Show SMILES CC(C)C[C@H](N)C(C)=O
Show InChI InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
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4.30E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards microsomal aminopeptidase


J Med Chem 35: 451-6 (1992)


Article DOI: 10.1021/jm00081a005
BindingDB Entry DOI: 10.7270/Q2CR5SBH
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50022748
PNG
(2-Amino-4-methyl-pentane-1-thiol | CHEMBL69349)
Show SMILES CC(C)C[C@@H](N)CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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4.50E+5n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Leucine aminopeptidase


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50022753
PNG
(3-Amino-5-methyl-hexan-2-ol | CHEMBL68511)
Show SMILES CC(C)C[C@H](N)C(C)O
Show InChI InChI=1S/C7H17NO/c1-5(2)4-7(8)6(3)9/h5-7,9H,4,8H2,1-3H3/t6?,7-/m0/s1
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5.07E+5n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Leucine aminopeptidase


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
N-terminal nucleophile hydrolase (PVdQ)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
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5.50E+5n/an/an/an/an/an/a8.0n/a



The University of Texas



Assay Description
Briefly, stock solutions of the colorimetric PvdQ substrate (4-nitrophenyl dodecanoate) were prepared in methanol and stock solutions of each n-alkyl...


Biochemistry 53: 6679-86 (2014)


Article DOI: 10.1021/bi501086s
BindingDB Entry DOI: 10.7270/Q2M907DK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aspartyl aminopeptidase


(Homo sapiens)
BDBM50008429
PNG
((3S)-3-amino-5-methylhexan-2-one | 3-Amino-5-methy...)
Show SMILES CC(C)C[C@H](N)C(C)=O
Show InChI InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
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>6.00E+5n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards Cytosolic aminopeptidase


J Med Chem 35: 451-6 (1992)


Article DOI: 10.1021/jm00081a005
BindingDB Entry DOI: 10.7270/Q2CR5SBH
More data for this
Ligand-Target Pair
Aminopeptidase B


(Rattus norvegicus)
BDBM50022749
PNG
(2-Amino-4-methyl-pentan-1-ol | CHEMBL71171 | D-Leu...)
Show SMILES CC(C)C[C@@H](N)CO
Show InChI InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase B


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50022749
PNG
(2-Amino-4-methyl-pentan-1-ol | CHEMBL71171 | D-Leu...)
Show SMILES CC(C)C[C@@H](N)CO
Show InChI InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Aminopeptidase M


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Leucine aminopeptidase


(Homo sapiens)
BDBM50022749
PNG
(2-Amino-4-methyl-pentan-1-ol | CHEMBL71171 | D-Leu...)
Show SMILES CC(C)C[C@@H](N)CO
Show InChI InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibitory activity against Leucine aminopeptidase


J Med Chem 31: 2193-9 (1988)


Article DOI: 10.1021/jm00119a022
BindingDB Entry DOI: 10.7270/Q2Z038RM
More data for this
Ligand-Target Pair
Aminopeptidase B


(Homo sapiens)
BDBM50008429
PNG
((3S)-3-amino-5-methylhexan-2-one | 3-Amino-5-methy...)
Show SMILES CC(C)C[C@H](N)C(C)=O
Show InChI InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity towards arginyl aminopeptidase


J Med Chem 35: 451-6 (1992)


Article DOI: 10.1021/jm00081a005
BindingDB Entry DOI: 10.7270/Q2CR5SBH
More data for this
Ligand-Target Pair
Urease


(Glycine max (Soybean))
BDBM50067884
PNG
(1-BUTANE BORONIC ACID | Borinic acid derivative | ...)
Show SMILES CCCCB(O)O
Show InChI InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
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1.50E+6 -16.8n/an/an/an/an/a7.037



Banaras Hindu University



Assay Description
The inhibition studies of soybean urease were initiated with boric acid and boronic acids (butylboronic acid, 4-bromophenylboronic acid, and phenylbo...


J Enzyme Inhib Med Chem 25: 646-52 (2010)


Article DOI: 10.3109/14756360903468155
BindingDB Entry DOI: 10.7270/Q2F18XM8
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002026
PNG
(2-Mercapto-1-methylsulfanylmethyl-ethyl-ammonium)
Show SMILES CSCC([NH3+])CS
Show InChI InChI=1S/C4H11NS2/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3/p+1
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n/an/a 20n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


Article DOI: 10.1021/jm00085a013
BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002027
PNG
(1-Mercaptomethyl-3-methyl-butyl-ammonium)
Show SMILES CC(C)CC([NH3+])CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/p+1
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n/an/a 22n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


Article DOI: 10.1021/jm00085a013
BindingDB Entry DOI: 10.7270/Q2125T81
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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50017377
PNG
((1-Amino-ethyl)-phosphonic acid | 1-Ammonium-ethan...)
Show SMILES CC(N)P(O)(O)=O
Show InChI InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)
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n/an/a 4.20E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney aminopeptidase N using Leu-AMC as substrate


Bioorg Med Chem 18: 2930-6 (2010)


Article DOI: 10.1016/j.bmc.2010.02.056
BindingDB Entry DOI: 10.7270/Q2FN16C0
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50024604
PNG
(1-Ammonium-propane-1-phosphonic acid anion | 1-ami...)
Show SMILES CCC([NH3+])P(O)([O-])=O
Show InChI InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney aminopeptidase N using Leu-AMC as substrate


Bioorg Med Chem 18: 2930-6 (2010)


Article DOI: 10.1016/j.bmc.2010.02.056
BindingDB Entry DOI: 10.7270/Q2FN16C0
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
BDBM50336496
PNG
(2-aminocycloheptanone hydrochloride | CHEMBL166862...)
Show SMILES NC1CCCCCC1=O
Show InChI InChI=1S/C7H13NO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5,8H2
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n/an/a>1.00E+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
Aminopeptidase N


(Homo sapiens)
BDBM50336496
PNG
(2-aminocycloheptanone hydrochloride | CHEMBL166862...)
Show SMILES NC1CCCCCC1=O
Show InChI InChI=1S/C7H13NO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5,8H2
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n/an/a 3.10E+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 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
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase


(Staphylococcus epidermidis (strain ATCC 35984 / RP...)
BDBM50017377
PNG
((1-Amino-ethyl)-phosphonic acid | 1-Ammonium-ethan...)
Show SMILES CC(N)P(O)(O)=O
Show InChI InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)
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n/an/a 9.30E+5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)


J Med Chem 31: 1772-8 (1988)


Article DOI: 10.1021/jm00117a017
BindingDB Entry DOI: 10.7270/Q24B31XZ
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(Bos taurus (bovine))
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/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)
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))
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))
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