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10 molecules are shown

Wt: 188.2
BDBM50049254
Wt: 214.2
BDBM50240714
Wt: 199.2
BDBM50240715
Wt: 216.2
BDBM50240716
Wt: 232.2
BDBM50240959
Wt: 213.2
BDBM50254449
Wt: 187.2
BDBM50254450
Wt: 228.2
BDBM50254451
Wt: 212.2
BDBM50254452
Wt: 201.2
BDBM50255074

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50049254,50240714,50240715,50240716,50240959,50254449,50254450,50254451,50254452,50255074   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(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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100n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)


Article DOI: 10.1016/j.bmc.2008.04.036
BindingDB Entry DOI: 10.7270/Q2611040
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
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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550n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS


J Med Chem 56: 3121-47 (2013)


Article DOI: 10.1021/jm3015926
BindingDB Entry DOI: 10.7270/Q23T9JKG
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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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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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
Nitric oxide synthase, brain


(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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3.00E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)


Article DOI: 10.1016/j.bmc.2008.04.036
BindingDB Entry DOI: 10.7270/Q2611040
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(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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5.30E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline


Bioorg Med Chem 16: 6193-206 (2008)


Article DOI: 10.1016/j.bmc.2008.04.036
BindingDB Entry DOI: 10.7270/Q2611040
More data for this
Ligand-Target Pair
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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.


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)
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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1.40E+6n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards inducible nitric oxide synthase


Bioorg Med Chem Lett 15: 3934-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.088
BindingDB Entry DOI: 10.7270/Q2V69KBC
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS by griess assay


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
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS by griess assay


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
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDAH1 expressed in Escherichia coli BL21 cells


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
3D
3D Structure (docked)
Nitric oxide synthase, endothelial (eNOS)


(Homo sapiens (Human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human Neuronal nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase


J Med Chem 39: 669-72 (1996)


Article DOI: 10.1021/jm950766n
BindingDB Entry DOI: 10.7270/Q261110M
More data for this
Ligand-Target Pair
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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n/an/a 5.50E+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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 1.89E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
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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n/an/a 2.07E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 2.83E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 2.90E+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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 3.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 7.90E+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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 7.00E+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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS by griess assay


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
Dimethylarginine dimethylaminohydrolase 1


(Rattus norvegicus)
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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n/an/a 2.20E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of rat DDAH


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50049254
PNG
((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N
Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Université de Haute-Alsace

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against iNOS obtained from RAW 264.7 cells.


Bioorg Med Chem Lett 8: 2961-6 (1999)


Article DOI: 10.1016/S0960-894X(98)00532-0
BindingDB Entry DOI: 10.7270/Q2DZ07G5
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


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)