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BDBM22030 (2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[(E)-imino(nitroamino)methyl]amino}pentanamide::(2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[(Z)-imino(nitroamino)methyl]amino}pentanamide::(2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[imino(nitroamino)methyl]amino}pentanamide::(2S)-2-amino-N-[(1S)-3-amino-1-carbamoylpropyl]-5-(1-nitrocarbamimidamido)pentanamide::CHEMBL1204421::CHEMBL44833::CHEMBL481413::JMC522060 Compound 1::L-Arg NO2-L-Dbu-NH2::L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE::L-Nomega-nitroarginine-2,4-L-diaminobutyramide::dipeptide amide inhibitor I

SMILES: NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O

InChI Key: InChIKey=KUZKVXUOMSVPOA-BQBZGAKWSA-N

Data: 27 KI

PDB links: 5 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 22030   
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


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Neuronal Nitric Oxide Synthase (nNOS)


J Med Chem 46: 1661-9 (2003)


Article DOI: 10.1021/jm0202932
BindingDB Entry DOI: 10.7270/Q23J3DQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Nitric Oxide Synthase Inhibitory activity tested against bovine brain nNOS (Neuronal nitric oxide synthase)


J Med Chem 42: 3147-53 (1999)


Article DOI: 10.1021/jm990111c
BindingDB Entry DOI: 10.7270/Q2RN38K2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase (nNOS)


J Med Chem 47: 703-10 (2004)


Article DOI: 10.1021/jm030297m
BindingDB Entry DOI: 10.7270/Q2MC90SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant rat nNOS.


J Med Chem 44: 2667-70 (2001)


Article DOI: 10.1021/jm0101491
BindingDB Entry DOI: 10.7270/Q29K4BX1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity towards neuronal nitric oxide synthase (nNOS)


J Med Chem 47: 703-10 (2004)


Article DOI: 10.1021/jm030297m
BindingDB Entry DOI: 10.7270/Q2MC90SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain nNOS (neuronal).


J Med Chem 43: 2938-45 (2000)


Article DOI: 10.1021/jm000127z
BindingDB Entry DOI: 10.7270/Q2NG4RBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/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
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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130n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay


J Med Chem 52: 779-97 (2009)


Article DOI: 10.1021/jm801220a
BindingDB Entry DOI: 10.7270/Q27D2V01
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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300 -9.04n/an/an/an/an/a7.530



University of California at Irvine



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


J Med Chem 52: 2060-6 (2009)


Article DOI: 10.1021/jm900007a
BindingDB Entry DOI: 10.7270/Q2HX1B1J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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300 -9.04n/an/an/an/an/a7.530



University of California at Irvine



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Struct Mol Biol 11: 54-9 (2004)


Article DOI: 10.1038/nsmb704
BindingDB Entry DOI: 10.7270/Q27942ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, brain


(Homo sapiens (Human)-Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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330n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against neuronal nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
Article DOI: 10.1021/jm030301u
BindingDB Entry DOI: 10.7270/Q26D5TQV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial Mutant (N368D)


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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9.50E+3 -6.96n/an/an/an/an/a7.530



University of California at Irvine



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Struct Mol Biol 11: 54-9 (2004)


Article DOI: 10.1038/nsmb704
BindingDB Entry DOI: 10.7270/Q27942ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against recombinant murine Inducible nitric oxide synthase.


J Med Chem 43: 2938-45 (2000)


Article DOI: 10.1021/jm000127z
BindingDB Entry DOI: 10.7270/Q2NG4RBF
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


J Med Chem 52: 779-97 (2009)


Article DOI: 10.1021/jm801220a
BindingDB Entry DOI: 10.7270/Q27D2V01
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Nitric Oxide Synthase Inhibitory activity tested against recombinant murine Inducible nitric oxide synthase (inducible isoform)


J Med Chem 42: 3147-53 (1999)


Article DOI: 10.1021/jm990111c
BindingDB Entry DOI: 10.7270/Q2RN38K2
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity towards inducible nitric oxide synthase (iNOS)


J Med Chem 47: 703-10 (2004)


Article DOI: 10.1021/jm030297m
BindingDB Entry DOI: 10.7270/Q2MC90SQ
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant murine iNOS.


J Med Chem 44: 2667-70 (2001)


Article DOI: 10.1021/jm0101491
BindingDB Entry DOI: 10.7270/Q29K4BX1
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, brain Mutant (D597N)


(Rattus norvegicus (rat))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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6.70E+4 -5.79n/an/an/an/an/a7.530



University of California at Irvine



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Struct Mol Biol 11: 54-9 (2004)


Article DOI: 10.1038/nsmb704
BindingDB Entry DOI: 10.7270/Q27942ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (Human))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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9.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
Article DOI: 10.1021/jm030301u
BindingDB Entry DOI: 10.7270/Q26D5TQV
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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1.07E+5 -5.50n/an/an/an/an/a7.530



University of California at Irvine



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


Nat Struct Mol Biol 11: 54-9 (2004)


Article DOI: 10.1038/nsmb704
BindingDB Entry DOI: 10.7270/Q27942ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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1.07E+5 -5.50n/an/an/an/an/a7.530



University of California at Irvine



Assay Description
Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...


J Med Chem 52: 2060-6 (2009)


Article DOI: 10.1021/jm900007a
BindingDB Entry DOI: 10.7270/Q2HX1B1J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Nitric Oxide Synthase Inhibitory activity tested against recombinant bovine eNOS (Endothelial nitric oxide synthase)


J Med Chem 42: 3147-53 (1999)


Article DOI: 10.1021/jm990111c
BindingDB Entry DOI: 10.7270/Q2RN38K2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant bovine eNOS.


J Med Chem 44: 2667-70 (2001)


Article DOI: 10.1021/jm0101491
BindingDB Entry DOI: 10.7270/Q29K4BX1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


J Med Chem 52: 779-97 (2009)


Article DOI: 10.1021/jm801220a
BindingDB Entry DOI: 10.7270/Q27D2V01
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity towards endothelial nitric oxide synthase (eNOS)


J Med Chem 47: 703-10 (2004)


Article DOI: 10.1021/jm030297m
BindingDB Entry DOI: 10.7270/Q2MC90SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity against recombinant bovine Endothelial nitric oxide synthase.


J Med Chem 43: 2938-45 (2000)


Article DOI: 10.1021/jm000127z
BindingDB Entry DOI: 10.7270/Q2NG4RBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Homo sapiens (Human)-Bos taurus (bovine))
BDBM22030
PNG
((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...)
Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
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2.45E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against endothelial nitric oxide synthase (eNOS)


J Med Chem 46: 5700-11 (2003)

Checked by Author
Article DOI: 10.1021/jm030301u
BindingDB Entry DOI: 10.7270/Q26D5TQV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)