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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 190.2
BDBM50230418
Wt: 198.2
BDBM50316603
Purchase
Wt: 198.2
BDBM50316604
Wt: 198.2
BDBM50316605
Wt: 184.1
BDBM50316606
Wt: 170.1
BDBM50316607
Wt: 83.0
BDBM50316608
Purchase
Wt: 159.1
BDBM50354832
Wt: 189.0
BDBM50350309
Wt: 174.9
BDBM50350311
Purchase
Wt: 176.1
BDBM50008099
Purchase
Wt: 174.9
BDBM50427901
Purchase
Wt: 204.0
BDBM50431953
Wt: 205.0
BDBM50431958
Wt: 203.0
BDBM50431961
Displayed 1 to 15 (of 121 total )  |  Next  |  Last  >>

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

Found 48 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
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Binding affinity to human arginase 2


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Arginase


(Plasmodium falciparum)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of bovine liver arginase


Bioorg Med Chem 16: 2305-12 (2008)


Article DOI: 10.1016/j.bmc.2007.11.066
BindingDB Entry DOI: 10.7270/Q2KW5GXN
More data for this
Ligand-Target Pair
Arginase


(Plasmodium falciparum)
BDBM50350309
PNG
(CHEMBL1812662)
Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)
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2.60E+5n/an/an/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50316607
PNG
(2-amino-L-histidine | CHEMBL1099167 | L-2-aminohis...)
Show SMILES N[C@@H](Cc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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3.00E+5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens)
BDBM50316604
PNG
((S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid |...)
Show SMILES N[C@@H](CCCNc1ncc[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-3-10-8-11-4-5-12-8/h4-6H,1-3,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
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5.00E+5n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50316606
PNG
((2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic ...)
Show SMILES N[C@@H](CCc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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3.00E+6n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens)
BDBM50316608
PNG
(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
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3.60E+6n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens)
BDBM50316605
PNG
(2-amino-5-(2-aminoimidazol-4-yl)pentanoic acid | C...)
Show SMILES NC(CCCc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)3-1-2-5-4-11-8(10)12-5/h4,6H,1-3,9H2,(H,13,14)(H3,10,11,12)
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>8.00E+7n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human Arg1


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50431953
PNG
(CHEMBL2348490)
Show SMILES NCC(N)(CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C7H17BN2O4/c9-5-7(10,6(11)12)3-1-2-4-8(13)14/h13-14H,1-5,9-10H2,(H,11,12)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human Arg2 by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50427901
PNG
(CHEMBL2326088)
Show SMILES N[C@H](CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m1/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery , LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 ...


J Med Chem 56: 2568-80 (2013)


Article DOI: 10.1021/jm400014c
BindingDB Entry DOI: 10.7270/Q2BC40WP
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50427901
PNG
(CHEMBL2326088)
Show SMILES N[C@H](CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m1/s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery , LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea ...


J Med Chem 56: 2568-80 (2013)


Article DOI: 10.1021/jm400014c
BindingDB Entry DOI: 10.7270/Q2BC40WP
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human Arg2 by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-1


(Rattus norvegicus)
BDBM50008099
PNG
(CHEMBL1234777)
Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O
Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of rat liver arginase


Eur J Med Chem 76: 132-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.008
BindingDB Entry DOI: 10.7270/Q2T43VM0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arginase-1


(Homo sapiens)
BDBM50431953
PNG
(CHEMBL2348490)
Show SMILES NCC(N)(CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C7H17BN2O4/c9-5-7(10,6(11)12)3-1-2-4-8(13)14/h13-14H,1-5,9-10H2,(H,11,12)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 4837-41 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.092
BindingDB Entry DOI: 10.7270/Q2Z89DT6
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50431958
PNG
(CHEMBL2348496)
Show SMILES NC(CO)(CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C7H16BNO5/c9-7(5-10,6(11)12)3-1-2-4-8(13)14/h10,13-14H,1-5,9H2,(H,11,12)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50350309
PNG
(CHEMBL1812662)
Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)
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n/an/a 3.43E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50431961
PNG
(CHEMBL2348498)
Show SMILES CCC(N)(CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C8H18BNO4/c1-2-8(10,7(11)12)5-3-4-6-9(13)14/h13-14H,2-6,10H2,1H3,(H,11,12)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50431958
PNG
(CHEMBL2348496)
Show SMILES NC(CO)(CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C7H16BNO5/c9-7(5-10,6(11)12)3-1-2-4-8(13)14/h10,13-14H,1-5,9H2,(H,11,12)
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n/an/a 4.28E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human Arg2 by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50431961
PNG
(CHEMBL2348498)
Show SMILES CCC(N)(CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C8H18BNO4/c1-2-8(10,7(11)12)5-3-4-6-9(13)14/h13-14H,2-6,10H2,1H3,(H,11,12)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human Arg2 by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-2, mitochondrial


(Homo sapiens)
BDBM50350309
PNG
(CHEMBL1812662)
Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)
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n/an/a 5.07E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery

Curated by ChEMBL


Assay Description
Inhibition of human Arg2 by colorimetric assay


Bioorg Med Chem Lett 23: 2027-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.024
BindingDB Entry DOI: 10.7270/Q22J6D8K
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50427901
PNG
(CHEMBL2326088)
Show SMILES N[C@H](CCCCB(O)O)C(O)=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Institutes for Pharmaceutical Discovery , LLC

Curated by ChEMBL


Assay Description
Inhibition of human arginase 1 transfected in CHO cells assessed as inhibition of urea formation after 24 hrs by spectrophotometric analysis


J Med Chem 56: 2568-80 (2013)


Article DOI: 10.1021/jm400014c
BindingDB Entry DOI: 10.7270/Q2BC40WP
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50316604
PNG
((S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid |...)
Show SMILES N[C@@H](CCCNc1ncc[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-3-10-8-11-4-5-12-8/h4-6H,1-3,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50316607
PNG
(2-amino-L-histidine | CHEMBL1099167 | L-2-aminohis...)
Show SMILES N[C@@H](Cc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50316606
PNG
((2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic ...)
Show SMILES N[C@@H](CCc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition rat recombinant nNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50316606
PNG
((2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic ...)
Show SMILES N[C@@H](CCc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50316608
PNG
(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition rat recombinant nNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50316608
PNG
(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50316607
PNG
(2-amino-L-histidine | CHEMBL1099167 | L-2-aminohis...)
Show SMILES N[C@@H](Cc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition rat recombinant nNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50316604
PNG
((S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid |...)
Show SMILES N[C@@H](CCCNc1ncc[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-3-10-8-11-4-5-12-8/h4-6H,1-3,9H2,(H,13,14)(H2,10,11,12)/t6-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition rat recombinant nNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50316605
PNG
(2-amino-5-(2-aminoimidazol-4-yl)pentanoic acid | C...)
Show SMILES NC(CCCc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)3-1-2-5-4-11-8(10)12-5/h4,6H,1-3,9H2,(H,13,14)(H3,10,11,12)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50316605
PNG
(2-amino-5-(2-aminoimidazol-4-yl)pentanoic acid | C...)
Show SMILES NC(CCCc1cnc(N)[nH]1)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)3-1-2-5-4-11-8(10)12-5/h4,6H,1-3,9H2,(H,13,14)(H3,10,11,12)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition rat recombinant nNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50316608
PNG
(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...


Bioorg Med Chem 21: 3873-81 (2013)


Article DOI: 10.1016/j.bmc.2013.04.011
BindingDB Entry DOI: 10.7270/Q22B90DG
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50316608
PNG
(1H-Imidazol-2-yl-ammonium | 1H-Imidazol-2-ylamine ...)
Show SMILES Nc1ncc[nH]1
Show InChI InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a...


Bioorg Med Chem 21: 3873-81 (2013)


Article DOI: 10.1016/j.bmc.2013.04.011
BindingDB Entry DOI: 10.7270/Q22B90DG
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition rat recombinant nNOS


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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n/an/an/a 5.10E+3n/an/an/an/an/a



University of Utrecht

Curated by ChEMBL


Assay Description
Binding affinity to iNOS with heme domain construct (unknown origin) assessed as spectral binding constant by spectral assay


Bioorg Med Chem Lett 19: 1758-62 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.076
BindingDB Entry DOI: 10.7270/Q2P55NC7
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O
Show InChI InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by surface plasmon resonance assay


J Med Chem 53: 4266-76 (2010)


Article DOI: 10.1021/jm100306a
BindingDB Entry DOI: 10.7270/Q2SQ90JK
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50354832
PNG
(CHEMBL1834160)
Show SMILES N[C@@H](CCCCC=O)C(O)=O
Show InChI InChI=1S/C7H13NO3/c8-6(7(10)11)4-2-1-3-5-9/h5-6H,1-4,8H2,(H,10,11)/t6-/m0/s1
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n/an/an/a 6.00E+4n/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Displacement of [14C-guanidino]-L-arginine from human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay


Bioorg Med Chem Lett 21: 5854-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.100
BindingDB Entry DOI: 10.7270/Q2KS6RZR
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/an/a 18n/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Binding affinity to human arginase 1 using L-arginine as substrate by surface plasmon resonance assay


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50350309
PNG
(CHEMBL1812662)
Show SMILES CC([NH3+])(CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)
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n/an/an/a 880n/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Binding affinity to human arginase 1 using L-arginine as substrate by surface plasmon resonance assay


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase-1


(Homo sapiens)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/an/a 5n/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Binding affinity to human arginase 1


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair
Arginase


(Plasmodium falciparum)
BDBM50350311
PNG
(CHEMBL1812661)
Show SMILES [NH3+][C@@H](CCCCB(O)O)C([O-])=O
Show InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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n/an/an/a 1.10E+4n/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Binding affinity to Plasmodium falciparum arginase


J Med Chem 54: 5432-43 (2011)


Article DOI: 10.1021/jm200443b
BindingDB Entry DOI: 10.7270/Q2TH8N21
More data for this
Ligand-Target Pair