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Compile Data Set for Download or QSAR

Found 1511 hits Enz. Inhib. hit(s) with Target = 'Nitric Oxide Synthase, endothelial'   
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
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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Article
PubMed
n/an/a 34n/an/an/an/a7.037



The Scripps Research Institute



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...


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
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PubMed
n/an/a 44.7n/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


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 45n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091792
PNG
(6-Ethyl-4-methyl-pyridin-2-ylamine | CHEMBL294084)
Show SMILES CCc1cc(C)cc(N)n1
Show InChI InChI=1S/C8H12N2/c1-3-7-4-6(2)5-8(9)10-7/h4-5H,3H2,1-2H3,(H2,9,10)
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n/an/a 49n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50098962
PNG
(5-Cyclopropyl-4,5-dihydro-thieno[2,3-c]pyridin-7-y...)
Show SMILES NC1=NC(Cc2ccsc12)C1CC1
Show InChI InChI=1S/C10H12N2S/c11-10-9-7(3-4-13-9)5-8(12-10)6-1-2-6/h3-4,6,8H,1-2,5H2,(H2,11,12)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by e-NOS from HUVECcells


Bioorg Med Chem Lett 11: 1027-30 (2001)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091817
PNG
(4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...)
Show SMILES CCCc1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 72n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50098959
PNG
(5-Ethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylami...)
Show SMILES NC1=NC(Cc2ccsc12)C#C
Show InChI InChI=1S/C9H8N2S/c1-2-7-5-6-3-4-12-8(6)9(10)11-7/h1,3-4,7H,5H2,(H2,10,11)
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n/an/a 80n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by e-NOS from HUVECcells


Bioorg Med Chem Lett 11: 1027-30 (2001)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM36401
PNG
((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)
Show SMILES C[C@H]1CN=C(N)c2sccc2O1
Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1
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n/an/a 80n/an/an/an/a7.037



The Scripps Research Institute



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...


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091791
PNG
(4-Methyl-pyridine-2,3-diamine | CHEMBL61427)
Show SMILES Cc1ccnc(N)c1N
Show InChI InChI=1S/C6H9N3/c1-4-2-3-9-6(8)5(4)7/h2-3H,7H2,1H3,(H2,8,9)
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n/an/a 81n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human endothelial nitric oxide synthase


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50098951
PNG
(6-Ethynyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylami...)
Show SMILES NC1=NC(Cc2sccc12)C#C
Show InChI InChI=1S/C9H8N2S/c1-2-6-5-8-7(3-4-12-8)9(10)11-6/h1,3-4,6H,5H2,(H2,10,11)
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by e-NOS from HUVECcells


Bioorg Med Chem Lett 11: 1027-30 (2001)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50062133
PNG
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)
Show SMILES CC1CCN=C(N)C1
Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 146n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091801
PNG
(6-Isobutyl-4-methyl-pyridin-2-ylamine | 6-isobutyl...)
Show SMILES CC(C)Cc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
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n/an/a 150n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human eNOS


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091809
PNG
(3,4-Dimethyl-pyridin-2-ylamine | CHEMBL61939)
Show SMILES Cc1ccnc(N)c1C
Show InChI InChI=1S/C7H10N2/c1-5-3-4-9-7(8)6(5)2/h3-4H,1-2H3,(H2,8,9)
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n/an/a 150n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091801
PNG
(6-Isobutyl-4-methyl-pyridin-2-ylamine | 6-isobutyl...)
Show SMILES CC(C)Cc1cc(C)cc(N)n1
Show InChI InChI=1S/C10H16N2/c1-7(2)4-9-5-8(3)6-10(11)12-9/h5-7H,4H2,1-3H3,(H2,11,12)
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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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50098940
PNG
(8-Fluoro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinol...)
Show SMILES NC1=NC(Cc2cccc(F)c12)c1ccc(F)cc1
Show InChI InChI=1S/C15H12F2N2/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13H,8H2,(H2,18,19)
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n/an/a 160n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091805
PNG
(2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...)
Show SMILES Cc1cc(C)nc(N)c1
Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
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n/an/a 170n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50124519
PNG
(5,8-Difluoro-2-furan-2-yl-1,2-dihydro-quinazolin-4...)
Show SMILES NC1=NC(Nc2c(F)ccc(F)c12)c1ccco1
Show InChI InChI=1S/C12H9F2N3O/c13-6-3-4-7(14)10-9(6)11(15)17-12(16-10)8-2-1-5-18-8/h1-5,12,16H,(H2,15,17)
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n/an/a 180n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelial nitiric oxide synthase


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50372207
PNG
(CHEMBL272708)
Show SMILES CN(Cc1cc(Cl)ccc1[N+]([O-])=O)C1CCN(C)CC1
Show InChI InChI=1S/C14H20ClN3O2/c1-16-7-5-13(6-8-16)17(2)10-11-9-12(15)3-4-14(11)18(19)20/h3-4,9,13H,5-8,10H2,1-2H3
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n/an/a 180n/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


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50392587
PNG
(CHEMBL1230023)
Show SMILES CCC[C@H]1COc2ccsc2C(N)=N1
Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of wild type human eNOS using L-Arg as substrate incubated for 1 hr prior to L-Arg addition


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM36402
PNG
((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...)
Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1
Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m1/s1
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n/an/a 200n/an/an/an/a7.037



The Scripps Research Institute



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...


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091798
PNG
(6-Isopropyl-4-methyl-pyridin-2-ylamine | CHEMBL299...)
Show SMILES CC(C)c1cc(C)cc(N)n1
Show InChI InChI=1S/C9H14N2/c1-6(2)8-4-7(3)5-9(10)11-8/h4-6H,1-3H3,(H2,10,11)
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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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50062133
PNG
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)
Show SMILES CC1CCN=C(N)C1
Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8)
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n/an/a 220n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50372223
PNG
(CHEMBL428069)
Show SMILES CN(Cc1cc(Cl)ccc1C#N)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C22H26ClN3/c1-25(17-20-15-21(23)8-7-19(20)16-24)22-10-13-26(14-11-22)12-9-18-5-3-2-4-6-18/h2-8,15,22H,9-14,17H2,1H3
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n/an/a 220n/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


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091813
PNG
(4-Ethyl-pyridin-2-ylamine | 4-ethylpyridin-2-amine...)
Show SMILES CCc1ccnc(N)c1
Show InChI InChI=1S/C7H10N2/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
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n/an/a 230n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50116666
PNG
(4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...)
Show SMILES CC1=CC(N)=NCC1
Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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n/an/a 230n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50116676
PNG
(4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1CC(C)=CC(N)=N1
Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)
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n/an/a 240n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50346529
PNG
((R)-azetidine-2-carboximidamide | CHEMBL1783094 | ...)
Show SMILES NC(N)C1=NCC1
Show InChI InChI=1S/C4H9N3/c5-4(6)3-1-2-7-3/h4H,1-2,5-6H2
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS by microtiter plate assay


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50098963
PNG
(4,5-Dihydro-thieno[2,3-c]pyridin-7-ylamine | CHEMB...)
Show SMILES NC1=NCCc2ccsc12
Show InChI InChI=1S/C7H8N2S/c8-7-6-5(1-3-9-7)2-4-10-6/h2,4H,1,3H2,(H2,8,9)
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by e-NOS from HUVECcells


Bioorg Med Chem Lett 11: 1027-30 (2001)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(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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n/an/a 300n/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)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(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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n/an/a 300n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by e-NOS from HUVECcells


Bioorg Med Chem Lett 11: 1027-30 (2001)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50062142
PNG
(4,6-Dimethyl-piperidin-(2Z)-ylideneamine | CHEMBL2...)
Show SMILES CC1CC(C)N=C(N)C1
Show InChI InChI=1S/C7H14N2/c1-5-3-6(2)9-7(8)4-5/h5-6H,3-4H2,1-2H3,(H2,8,9)
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n/an/a 300n/an/an/an/an/an/a



G. D. Searle Research and Development

Curated by ChEMBL


Assay Description
inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM21958
PNG
((2S)-2-amino-5-[(E)-[amino(nitroamino)methylidene]...)
Show SMILES N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/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-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Endothelial nitric oxide synthase


Bioorg Med Chem Lett 13: 1981-4 (2003)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50091800
PNG
(2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...)
Show SMILES Cc1ccnc(N)c1
Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
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n/an/a 320n/an/an/an/a7.037



The Scripps Research Institute



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...


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50116673
PNG
(3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...)
Show SMILES CC1=C(C)C(N)=NCC1
Show InChI InChI=1S/C7H12N2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3,(H2,8,9)
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n/an/a 320n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM21958
PNG
((2S)-2-amino-5-[(E)-[amino(nitroamino)methylidene]...)
Show SMILES N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/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-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelial nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50030279
PNG
(2-Amino-5-(N'-methyl-guanidino)-pentanoic acid | C...)
Show SMILES CNC(=N)NCCCC(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)
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca R& D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelial nitiric oxide synthase


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50116674
PNG
(6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...)
Show SMILES CC1=CC(N)=NC(CC=C)C1
Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)
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n/an/a 360n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50081083
PNG
(6-{4-[2-(4-Isobutyl-piperazin-1-yl)-ethyl]-phenyl}...)
Show SMILES CC(C)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1
Show InChI InChI=1S/C21H30N4/c1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9,17H,10-16H2,1-2H3,(H2,22,23)
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n/an/a 372n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 2569-72 (1999)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(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
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/a 400n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50401279
PNG
(CHEMBL3215893)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1
Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(H2,20,21)
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n/an/a 410n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50116666
PNG
(4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...)
Show SMILES CC1=CC(N)=NCC1
Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)
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n/an/a 440n/an/an/an/an/an/a



Fukui Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells


Bioorg Med Chem Lett 12: 2291-4 (2002)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50081080
PNG
(6-{4-[2-(4-Phenethyl-piperazin-1-yl)-ethyl]-phenyl...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27)
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n/an/a 448n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 2569-72 (1999)

More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50372230
PNG
(CHEMBL258310)
Show SMILES CCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N
Show InChI InChI=1S/C16H22ClN3/c1-3-20-8-6-16(7-9-20)19(2)12-14-10-15(17)5-4-13(14)11-18/h4-5,10,16H,3,6-9,12H2,1-2H3
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n/an/a 450n/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


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50155790
PNG
(CHEMBL362772 | [1,4]Oxazepan-(3E)-ylideneamine)
Show SMILES NC1=NCCCOC1
Show InChI InChI=1S/C5H10N2O/c6-5-4-8-3-1-2-7-5/h1-4H2,(H2,6,7)
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n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Endothelial nitric oxide synthase


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50164777
PNG
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)
Show SMILES C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase (endothelial and brain)


(Homo sapiens (human))
BDBM50049252
PNG
(2-Amino-5-(N-nitro-guanidino)-pentanoic acid | CHE...)
Show SMILES N[C@@H](CCCN(C(N)=N)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-10(6(8)9)11(14)15/h4H,1-3,7H2,(H3,8,9)(H,12,13)/t4-/m0/s1
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n/an/a 500n/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


Citation and Details
More data for this
Ligand-Target Pair
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