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Found 73 hits Enz. Inhib. hit(s) with Target = 'Dimethylarginine dimethylaminohydrolase 1 (DDAH)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240715
PNG
((S)-2-Amino-5-but-3-enimidoylamino-pentanoic acid ...)
Show SMILES CC=CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,4,7H,3,5-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235685
PNG
(hDDAH inhibitor, 1a)
Show SMILES N[C@@H](CCCNC(=N)CC=C)C(O)=O
Show InChI InChI=1/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14)/t7-/s2
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2.00E+3 -33.8n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM92904
PNG
(nNOS and DDAH inhibitor, 14)
Show SMILES CCCCC(N)=NCCC[C@H](N)C(O)=O
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.


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM141899
PNG
(US8921421, L-257 | hDDAH inhibitor, 2a)
Show SMILES COCCNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
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US Patent
1.30E+4n/a 2.90E+4n/an/an/an/an/an/a



Christian-Albrechts-Universitaet Zu Kiel

US Patent


Assay Description
This assay was used to determine the inhibiting effect of the inhibitors in a concentration of 1 mM. A standard incubation mixture consisted of 75 &#...


US Patent US8921421 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240959
PNG
((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...)
Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM141899
PNG
(US8921421, L-257 | hDDAH inhibitor, 2a)
Show SMILES COCCNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
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1.30E+4 -29.0n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254452
PNG
(CHEMBL197234 | N-omega-propargyl-L-arginine)
Show SMILES N[C@@H](CCCN=C(N)NCC#C)C(O)=O
Show InChI InChI=1S/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235691
PNG
(hDDAH inhibitor, 2e)
Show SMILES N[C@@H](CCCNC(=N)NCC#C)C(O)=O
Show InChI InChI=1/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/s2
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1.70E+4 -28.3n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM141900
PNG
(US8921421, 3)
Show SMILES COCCNC(=N)NCCCCN
Show InChI InChI=1S/C8H20N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h2-7,9H2,1H3,(H3,10,11,12)
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1.80E+4n/a 7.00E+4n/an/an/an/an/an/a



Christian-Albrechts-Universitaet Zu Kiel

US Patent


Assay Description
This assay was used to determine the inhibiting effect of the inhibitors in a concentration of 1 mM. A standard incubation mixture consisted of 75 &#...


US Patent US8921421 (2014)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50255074
PNG
((S)-2-Amino-5-butyrimidoylamino-pentanoic acid | C...)
Show SMILES CCCC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM152700
PNG
((S)-2-Amino-5-butyrimidamidopentanoic acid (9) | h...)
Show SMILES CCCC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/s2
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3.20E+4 -26.7n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254449
PNG
(CHEMBL456882 | N5-(1-iminopent-3-enyl)-L-ornithine)
Show SMILES CCC=CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C10H19N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h3,6,8H,2,4-5,7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235686
PNG
(hDDAH inhibitor, 1c)
Show SMILES C\C=C\CC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C10H19N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h2-3,8H,4-7,11H2,1H3,(H2,12,13)(H,14,15)/b3-2+/t8-/s2
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3.60E+4 -26.4n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254450
PNG
((S)-2-Amino-5-propionimidoylamino-pentanoic acid |...)
Show SMILES CCC(N)=NCCC[C@H](N)C(O)=O
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.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235690
PNG
(hDDAH inhibitor, 2d)
Show SMILES N[C@@H](CCCNC(=N)NCCC=C)C(O)=O
Show InChI InChI=1/C10H20N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h2,8H,1,3-7,11H2,(H,15,16)(H3,12,13,14)/t8-/s2
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5.70E+4 -25.2n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254451
PNG
(CHEMBL106423 | N-omega-(but-3-enyl)-L-arginine)
Show SMILES N[C@@H](CCCN=C(N)NCCC=C)C(O)=O
Show InChI InChI=1S/C10H20N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h2,8H,1,3-7,11H2,(H,15,16)(H3,12,13,14)/t8-/m0/s1
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5.70E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240714
PNG
((2S)-5-{[(allylamino)(iminio)methyl]amino}-2-ammon...)
Show SMILES N[C@@H](CCCN=C(N)NCC=C)C(O)=O
Show InChI InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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5.80E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235689
PNG
(hDDAH inhibitor, 2c)
Show SMILES N[C@@H](CCCNC(=N)NCC=C)C(O)=O
Show InChI InChI=1/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/s2
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5.80E+4 -25.2n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235688
PNG
(hDDAH inhibitor, 2b)
Show SMILES CCCNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/s2
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9.00E+4 -24.0n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240716
PNG
((S)-2-Amino-5-(N'-propyl-guanidino)-pentanoic acid...)
Show SMILES CCCNC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM92905
PNG
(DDAH Inhibitor, 15)
Show SMILES CCCCCC(N)=NCCC[C@H](N)C(O)=O
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.


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O
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.


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254450
PNG
((S)-2-Amino-5-propionimidoylamino-pentanoic acid |...)
Show SMILES CCC(N)=NCCC[C@H](N)C(O)=O
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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1.45E+5n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM152699
PNG
((S)-2-Amino-5-propionimidamidopentanoic acid (8) |...)
Show SMILES CCC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/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-/s2
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1.45E+5 -22.8n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O
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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2.90E+5n/an/an/an/an/an/an/an/a



The University of Texas



Assay Description
Inhibition assay using DDAH-1 and nNOS.


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM60960
PNG
(hDDAH inhibitor, 2f)
Show SMILES N[C@@H](CCCNC(=N)NCC(F)(F)F)C(O)=O
Show InChI InChI=1/C8H15F3N4O2/c9-8(10,11)4-15-7(13)14-3-1-2-5(12)6(16)17/h5H,1-4,12H2,(H,16,17)(H3,13,14,15)/t5-/s2
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6.06E+5 -19.1n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235693
PNG
(hDDAH inhibitor, 2h)
Show SMILES N[C@@H](CCCNC(=N)NCCC(N)=O)C(O)=O
Show InChI InChI=1/C9H19N5O3/c10-6(8(16)17)2-1-4-13-9(12)14-5-3-7(11)15/h6H,1-5,10H2,(H2,11,15)(H,16,17)(H3,12,13,14)/t6-/s2
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7.64E+5 -18.5n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50404858
PNG
(CHEMBL351569)
Show SMILES CCc1nc2ccccc2[nH]1
Show InChI InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
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8.00E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant His6-tagged DDAH1 expressed in Escherichia coli BL21(DE3) using Nomega,Nomega-dimethyl-L-arginine as subs...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(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
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.


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM152697
PNG
((S)-5-Acetimidamido-2-aminopentanoic acid (4, L-NI...)
Show SMILES CC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1/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-/s2
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1.16E+6 -17.4n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O
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.


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O
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.


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50421231
PNG
(CHEMBL2087646)
Show SMILES NCCSc1nc2ccccc2o1
Show InChI InChI=1S/C9H10N2OS/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
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1.70E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant His6-tagged DDAH1 expressed in Escherichia coli BL21(DE3) using Nomega,Nomega-dimethyl-L-arginine as subs...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM235692
PNG
(hDDAH inhibitor, 2g)
Show SMILES N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/s2
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1.97E+6 -16.1n/an/an/an/an/a7.437



Christian-Albrechts-University



Assay Description
A colorimetric assay was carried out in 150 μL 50 mM potassium phosphate buffer pH 7.4 containing 4 μg of recombinant hDDAH-1 and varying c...


Citation and Details
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(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.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155523
PNG
(US9011882, Table 1, Compound 18)
Show SMILES COCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C13H17N3O3S/c1-8-6-9(2)15-12-11(8)13(18)16(20-12)7-10(17)14-4-5-19-3/h6H,4-5,7H2,1-3H3,(H,14,17)
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n/an/a 3.30E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50389868
PNG
(CHEMBL2070857 | US9011882, Table 1, Compound 16)
Show SMILES CCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C14H19N3O2S/c1-4-5-6-15-11(18)8-17-14(19)12-9(2)7-10(3)16-13(12)20-17/h7H,4-6,8H2,1-3H3,(H,15,18)
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n/an/a 5.10E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155517
PNG
(US9011882, Table 1, Compound 10)
Show SMILES CCOCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
Show InChI InChI=1S/C15H21N3O3S/c1-4-21-7-5-6-16-12(19)9-18-15(20)13-10(2)8-11(3)17-14(13)22-18/h8H,4-7,9H2,1-3H3,(H,16,19)
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n/an/a 7.10E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155515
PNG
(US9011882, Table 1, Compound 8)
Show SMILES CC1CCCC(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)C1C
Show InChI InChI=1/C18H25N3O2S/c1-10-6-5-7-14(13(10)4)20-15(22)9-21-18(23)16-11(2)8-12(3)19-17(16)24-21/h8,10,13-14H,5-7,9H2,1-4H3,(H,20,22)
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n/an/a 8.60E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM34513
PNG
(MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...)
Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1
Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)
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n/an/a 9.90E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155510
PNG
(US9011882, Table 1, Compound 3)
Show SMILES CP(O)(=O)c1nc2ccccc2s1
Show InChI InChI=1/C8H8NO2PS/c1-12(10,11)8-9-6-4-2-3-5-7(6)13-8/h2-5H,1H3,(H,10,11)
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n/an/a 9.90E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155521
PNG
(US9011882, Table 1, Compound 14)
Show SMILES CCOc1ccc(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1
Show InChI InChI=1S/C20H23N3O3S/c1-4-26-16-7-5-15(6-8-16)9-10-21-17(24)12-23-20(25)18-13(2)11-14(3)22-19(18)27-23/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,24)
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155519
PNG
(US9011882, Table 1, Compound 12)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C18H17N3O4S/c1-10-5-11(2)20-17-16(10)18(23)21(26-17)8-15(22)19-7-12-3-4-13-14(6-12)25-9-24-13/h3-6H,7-9H2,1-2H3,(H,19,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155522
PNG
(US9011882, Table 1, Compound 17)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)NCCC1=CCCCC1)c2=O
Show InChI InChI=1S/C18H23N3O2S/c1-12-10-13(2)20-17-16(12)18(23)21(24-17)11-15(22)19-9-8-14-6-4-3-5-7-14/h6,10H,3-5,7-9,11H2,1-2H3,(H,19,22)
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155516
PNG
(US9011882, Table 1, Compound 9)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)NCCCSC1CCCCC1)c2=O
Show InChI InChI=1S/C19H27N3O2S2/c1-13-11-14(2)21-18-17(13)19(24)22(26-18)12-16(23)20-9-6-10-25-15-7-4-3-5-8-15/h11,15H,3-10,12H2,1-2H3,(H,20,23)
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n/an/a 1.28E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240715
PNG
((S)-2-Amino-5-but-3-enimidoylamino-pentanoic acid ...)
Show SMILES CC=CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,4,7H,3,5-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155508
PNG
(US9011882, Table 1, Compound 1)
Show SMILES O=C1CC(N2CCCCCC2)C(=O)N1c1cccc2ccccc12
Show InChI InChI=1/C20H22N2O2/c23-19-14-18(21-12-5-1-2-6-13-21)20(24)22(19)17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,18H,1-2,5-6,12-14H2
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US Patent
n/an/a 1.31E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM46658
PNG
(1,2-benzothiazol-3-one | MLS-0254244.0001 | US9011...)
Show SMILES O=c1[nH]sc2ccccc12
Show InChI InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
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US Patent
n/an/a 1.32E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155520
PNG
(US9011882, Table 1, Compound 13)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)NCCc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C18H18ClN3O2S/c1-11-9-12(2)21-17-16(11)18(24)22(25-17)10-15(23)20-8-7-13-3-5-14(19)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,20,23)
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n/an/a 1.34E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM155514
PNG
(US9011882, Table 1, Compound 7)
Show SMILES CC(NC(=O)Cn1sc2nc(C)cc(C)c2c1=O)c1ccccc1
Show InChI InChI=1/C18H19N3O2S/c1-11-9-12(2)19-17-16(11)18(23)21(24-17)10-15(22)20-13(3)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H,20,22)
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n/an/a 1.37E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...


US Patent US9011882 (2015)

More data for this
Ligand-Target Pair
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