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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, endothelial' and Ligand = 'BDBM50063300'   
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, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by endothelial NOS (e NOS) from HUVEC cells


Bioorg Med Chem Lett 11: 1023-6 (2001)


BindingDB Entry DOI: 10.7270/Q2K073JZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase.


J Med Chem 47: 3320-3 (2004)


Article DOI: 10.1021/jm031035n
BindingDB Entry DOI: 10.7270/Q25M656D
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in insect SF9 cells after 1 hr


Bioorg Med Chem Lett 18: 336-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.073
BindingDB Entry DOI: 10.7270/Q2H9961Q
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelial nitiric oxide synthase


J Med Chem 46: 913-6 (2003)


Article DOI: 10.1021/jm0255926
BindingDB Entry DOI: 10.7270/Q2S75H3M
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Research Laboratories Rahway

Curated by ChEMBL


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


Bioorg Med Chem Lett 10: 1975-8 (2001)


BindingDB Entry DOI: 10.7270/Q2319V30
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 4539-44 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.033
BindingDB Entry DOI: 10.7270/Q218377V
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Searle

Curated by ChEMBL


Assay Description
Compound was evaluated for the Inhibition of endothelial isoform of Endothelial nitric oxide synthase (eNOS)enzyme


J Med Chem 41: 775-7 (1998)


Article DOI: 10.1021/jm9706675
BindingDB Entry DOI: 10.7270/Q2VQ31TX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.38E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition concentration against Endothelial nitric oxide synthase (eNOS) at 10 uM concentration


J Med Chem 47: 900-6 (2004)


Article DOI: 10.1021/jm030348f
BindingDB Entry DOI: 10.7270/Q23B60WX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.38E+5n/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, endothelial


(Homo sapiens (Human))
BDBM50063300
PNG
((L-N6-1-iminoethyl)lysine | (S)-6-Acetimidoylamino...)
Show SMILES CC(N)=NCCCC[C@H](N)C(O)=O |r,w:3.3|
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.38E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
The concentration required for inhibition of Human endothelial nitric oxide synthase (eNOS) isoform


J Med Chem 45: 1686-9 (2002)


BindingDB Entry DOI: 10.7270/Q2445N74
More data for this
Ligand-Target Pair