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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50031647   
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-1


(Homo sapiens (Human))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O |r|
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-1


(Homo sapiens (Human))
BDBM50316607
PNG
(2-amino-L-histidine | CHEMBL1099167 | L-2-aminohis...)
Show SMILES N[C@@H](Cc1cnc(N)[nH]1)C(O)=O |r|
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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PubMed
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 (Human))
BDBM50316604
PNG
((S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid |...)
Show SMILES N[C@@H](CCCNc1ncc[nH]1)C(O)=O |r|
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 (Human))
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 |r|
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 (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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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
Arginase-1


(Homo sapiens (Human))
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
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 |r|
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, 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 |r|
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, 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 |r|
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, 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, 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 |r|
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 |r|
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 |r|
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))
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
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))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O |r|
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


(Mus musculus (mouse))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O |r|
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
Arginase-1


(Homo sapiens (Human))
BDBM50316603
PNG
(2-(S)-amino-5-(2-aminoimidazol-1-yl)pentanoic acid...)
Show SMILES N[C@@H](CCCn1ccnc1N)C(O)=O |r|
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