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PubMed code 19663506

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50138983
PNG
((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...)
Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
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50n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM92901
PNG
(ADMA, 3)
Show SMILES CN(C)C(N)=NCCC[C@H](N)C(O)=O |r,w:5.5|
Show InChI InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
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700n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50254450
PNG
((S)-2-Amino-5-propionimidoylamino-pentanoic acid |...)
Show SMILES CCC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92904
PNG
(nNOS and DDAH inhibitor, 14)
Show SMILES CCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6|
Show InChI InChI=1S/C10H21N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1
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7.50E+3n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM92904
PNG
(nNOS and DDAH inhibitor, 14)
Show SMILES CCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:6.6|
Show InChI InChI=1S/C10H21N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM50254450
PNG
((S)-2-Amino-5-propionimidoylamino-pentanoic acid |...)
Show SMILES CCC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
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5.20E+4n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92905
PNG
(DDAH Inhibitor, 15)
Show SMILES CCCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7|
Show InChI InChI=1S/C11H23N3O2/c1-2-3-4-7-10(13)14-8-5-6-9(12)11(15)16/h9H,2-8,12H2,1H3,(H2,13,14)(H,15,16)/t9-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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1.31E+5n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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PubMed
2.90E+5n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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9.90E+5n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM92903
PNG
(L-Citrulline, 4)
Show SMILES N[C@@H](CCCNC(N)=O)C(O)=O
Show InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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1.20E+6n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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1.40E+6n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM92905
PNG
(DDAH Inhibitor, 15)
Show SMILES CCCCCC(N)=NCCC[C@H](N)C(O)=O |r,w:7.7|
Show InChI InChI=1S/C11H23N3O2/c1-2-3-4-7-10(13)14-8-5-6-9(12)11(15)16/h9H,2-8,12H2,1H3,(H2,13,14)(H,15,16)/t9-/m0/s1
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>1.90E+6n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92903
PNG
(L-Citrulline, 4)
Show SMILES N[C@@H](CCCNC(N)=O)C(O)=O
Show InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
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3.70E+6n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92901
PNG
(ADMA, 3)
Show SMILES CN(C)C(N)=NCCC[C@H](N)C(O)=O |r,w:5.5|
Show InChI InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
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n/an/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1


(Homo sapiens (Human))
BDBM50138983
PNG
((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...)
Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
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n/an/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Biochemistry 48: 8624-35 (2009)


Article DOI: 10.1021/bi9007098
BindingDB Entry DOI: 10.7270/Q29C6W1P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%