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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Nitric-oxide synthase, endothelial' AND taxid = 10090   
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


(Mus musculus)
BDBM50363625
PNG
(CHEMBL1946352)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H11N3O3/c19-15(11-5-7-12(8-6-11)18(20)21)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
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2.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363630
PNG
(CHEMBL1946204)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H17N3O3/c27-21(17-11-13-20(14-12-17)26(28)29)15-25-16-24-22(18-7-3-1-4-8-18)23(25)19-9-5-2-6-10-19/h1-14,16H,15H2
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2.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363628
PNG
(CHEMBL1946207)
Show SMILES Cc1ccnn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11N3O3/c1-9-6-7-13-14(9)8-12(16)10-2-4-11(5-3-10)15(17)18/h2-7H,8H2,1H3
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363620
PNG
(CHEMBL1946356)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1nc2ccccc2n1
Show InChI InChI=1S/C14H10N4O3/c19-14(10-5-7-11(8-6-10)18(20)21)9-17-15-12-3-1-2-4-13(12)16-17/h1-8H,9H2
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363622
PNG
(CHEMBL1529996)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H10N4O3/c19-14(10-5-7-11(8-6-10)18(20)21)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2
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3.25E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363634
PNG
(CHEMBL1945915)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1-c1ccccc1
Show InChI InChI=1S/C17H13N3O3/c21-16(13-6-8-15(9-7-13)20(22)23)12-19-11-10-18-17(19)14-4-2-1-3-5-14/h1-11H,12H2
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3.75E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363624
PNG
(CHEMBL1946353)
Show SMILES Cc1cc2ncn(CC(=O)c3ccc(cc3)[N+]([O-])=O)c2cc1C
Show InChI InChI=1S/C17H15N3O3/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-17(21)13-3-5-14(6-4-13)20(22)23/h3-8,10H,9H2,1-2H3
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3.75E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363626
PNG
(CHEMBL1946351)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cncn1
Show InChI InChI=1S/C10H8N4O3/c15-10(5-13-7-11-6-12-13)8-1-3-9(4-2-8)14(16)17/h1-4,6-7H,5H2
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4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363635
PNG
(CHEMBL1945914)
Show SMILES CCCc1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O3/c1-2-3-14-15-8-9-16(14)10-13(18)11-4-6-12(7-5-11)17(19)20/h4-9H,2-3,10H2,1H3
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4.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363621
PNG
(CHEMBL1946355)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2ncccc12
Show InChI InChI=1S/C14H10N4O3/c19-13(10-3-5-11(6-4-10)18(20)21)8-17-9-16-14-12(17)2-1-7-15-14/h1-7,9H,8H2
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4.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363636
PNG
(CHEMBL1945753)
Show SMILES Cc1cncn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11N3O3/c1-9-6-13-8-14(9)7-12(16)10-2-4-11(5-3-10)15(17)18/h2-6,8H,7H2,1H3
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4.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363619
PNG
(CHEMBL1946357)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cc2ccccc2n1
Show InChI InChI=1S/C15H11N3O3/c19-15(11-5-7-13(8-6-11)18(20)21)10-17-9-12-3-1-2-4-14(12)16-17/h1-9H,10H2
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6.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363629
PNG
(CHEMBL1946206)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cccn1
Show InChI InChI=1S/C11H9N3O3/c15-11(8-13-7-1-6-12-13)9-2-4-10(5-3-9)14(16)17/h1-7H,8H2
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6.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363633
PNG
(CHEMBL1945916)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O3/c21-17(14-6-8-15(9-7-14)20(22)23)11-19-10-16(18-12-19)13-4-2-1-3-5-13/h1-10,12H,11H2
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7.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363623
PNG
(CHEMBL1946354)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2cccnc12
Show InChI InChI=1S/C14H10N4O3/c19-13(10-3-5-11(6-4-10)18(20)21)8-17-9-16-12-2-1-7-15-14(12)17/h1-7,9H,8H2
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7.03E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363618
PNG
(CHEMBL1946358)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cc2cccc([N+]([O-])=O)c2n1
Show InChI InChI=1S/C15H10N4O5/c20-14(10-4-6-12(7-5-10)18(21)22)9-17-8-11-2-1-3-13(19(23)24)15(11)16-17/h1-8H,9H2
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7.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363631
PNG
(CHEMBL1946203)
Show SMILES CCc1nc(C)cn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O3/c1-3-14-15-10(2)8-16(14)9-13(18)11-4-6-12(7-5-11)17(19)20/h4-8H,3,9H2,1-2H3
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7.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363627
PNG
(CHEMBL1946208)
Show SMILES Cc1cc(C)n(CC(=O)c2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C13H13N3O3/c1-9-7-10(2)15(14-9)8-13(17)11-3-5-12(6-4-11)16(18)19/h3-7H,8H2,1-2H3
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9.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363632
PNG
(CHEMBL1945917)
Show SMILES [O-][N+](=O)c1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1
Show InChI InChI=1S/C11H8N4O5/c16-10(5-13-6-11(12-7-13)15(19)20)8-1-3-9(4-2-8)14(17)18/h1-4,6-7H,5H2
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1.20E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363617
PNG
(CHEMBL1946359)
Show SMILES CC(C)c1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O3/c1-10(2)14-15-7-8-16(14)9-13(18)11-3-5-12(6-4-11)17(19)20/h3-8,10H,9H2,1-2H3
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5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50271594
PNG
(2-(2-methyl-1H-imidazol-1-yl)-1-(4-nitrophenyl)eth...)
Show SMILES Cc1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H11N3O3/c1-9-13-6-7-14(9)8-12(16)10-2-4-11(5-3-10)15(17)18/h2-7H,8H2,1H3
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>2.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50363637
PNG
(CHEMBL1945752)
Show SMILES Cc1cn(CC(=O)c2ccc(cc2)[N+]([O-])=O)cn1
Show InChI InChI=1S/C12H11N3O3/c1-9-6-14(8-13-9)7-12(16)10-2-4-11(5-3-10)15(17)18/h2-6,8H,7H2,1H3
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>2.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Nitric-oxide synthase, endothelial


(Mus musculus)
BDBM50240895
PNG
(2-(1H-Imidazol-1-yl)-1-(4-nitrophenyl)ethanone | 2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H9N3O3/c15-11(7-13-6-5-12-8-13)9-1-3-10(4-2-9)14(16)17/h1-6,8H,7H2
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>5.00E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair