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Found 15 hits Enz. Inhib. hit(s) with Target = 'Nitric-oxide synthase, endothelial' AND taxid = 9823   
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


(Sus scrofa)
BDBM50081589
PNG
(CHEMBL101399 | N*4*,N*4*-Dibenzyl-6-phenyl-pteridi...)
Show SMILES Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(cnc2n1)-c1ccccc1
Show InChI InChI=1S/C26H22N6/c27-26-30-24-23(29-22(16-28-24)21-14-8-3-9-15-21)25(31-26)32(17-19-10-4-1-5-11-19)18-20-12-6-2-7-13-20/h1-16H,17-18H2,(H2,27,28,30,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081585
PNG
(CHEMBL100659 | N*4*,N*4*-Dibenzyl-6-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)-c1cnc2nc(N)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1
Show InChI InChI=1S/C27H24N6O/c1-34-22-14-12-21(13-15-22)23-16-29-25-24(30-23)26(32-27(28)31-25)33(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H2,28,29,31,32)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081588
PNG
(1-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6-yl)-p...)
Show SMILES CC(O)C(O)C1CNc2nc(N)nc(N)c2N1
Show InChI InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081594
PNG
(6-Phenyl-5,6,7,8-tetrahydro-pteridine-2,4-diamine ...)
Show SMILES Nc1nc(N)c2NC(CNc2n1)c1ccccc1
Show InChI InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, endothelial


(Sus scrofa)
BDBM50081582
PNG
(7-Phenyl-5,6,7,8-tetrahydro-pteridine-2,4-diamine ...)
Show SMILES Nc1nc(N)c2NCC(Nc2n1)c1ccccc1
Show InChI InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)16-8(6-15-9)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H5,13,14,16,17,18)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081583
PNG
(6-Ethoxymethyl-5,6,7,8-tetrahydro-pteridine-2,4-di...)
Show SMILES CCOCC1CNc2nc(N)nc(N)c2N1
Show InChI InChI=1S/C9H16N6O/c1-2-16-4-5-3-12-8-6(13-5)7(10)14-9(11)15-8/h5,13H,2-4H2,1H3,(H5,10,11,12,14,15)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081579
PNG
(6-(4-Methoxy-phenyl)-4-morpholin-4-yl-pteridin-2-y...)
Show SMILES COc1ccc(cc1)-c1cnc2nc(N)nc(N3CCOCC3)c2n1
Show InChI InChI=1S/C17H18N6O2/c1-24-12-4-2-11(3-5-12)13-10-19-15-14(20-13)16(22-17(18)21-15)23-6-8-25-9-7-23/h2-5,10H,6-9H2,1H3,(H2,18,19,21,22)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081584
PNG
(CHEMBL100658 | N*4*,N*4*-Diethyl-6-(4-methoxy-phen...)
Show SMILES CCN(CC)c1nc(N)nc2ncc(nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H20N6O/c1-4-23(5-2)16-14-15(21-17(18)22-16)19-10-13(20-14)11-6-8-12(24-3)9-7-11/h6-10H,4-5H2,1-3H3,(H2,18,19,21,22)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081581
PNG
(3-(4-Benzoyl-phenyl)-propionic acid 2,4-diamino-pt...)
Show SMILES Nc1nc(N)c2nc(COC(=O)CCc3ccc(cc3)C(=O)c3ccccc3)cnc2n1
Show InChI InChI=1S/C23H20N6O3/c24-21-19-22(29-23(25)28-21)26-12-17(27-19)13-32-18(30)11-8-14-6-9-16(10-7-14)20(31)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H4,24,25,26,28,29)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081590
PNG
(6-(4-Methoxy-phenyl)-4-piperidin-1-yl-pteridin-2-y...)
Show SMILES COc1ccc(cc1)-c1cnc2nc(N)nc(N3CCCCC3)c2n1
Show InChI InChI=1S/C18H20N6O/c1-25-13-7-5-12(6-8-13)14-11-20-16-15(21-14)17(23-18(19)22-16)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081586
PNG
(6-Phenyl-4-piperidin-1-yl-pteridin-2-ylamine | CHE...)
Show SMILES Nc1nc(N2CCCCC2)c2nc(cnc2n1)-c1ccccc1
Show InChI InChI=1S/C17H18N6/c18-17-21-15-14(16(22-17)23-9-5-2-6-10-23)20-13(11-19-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,18,19,21,22)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081580
PNG
(6-(4-Methoxy-phenyl)-N*4*,N*4*-dimethyl-pteridine-...)
Show SMILES COc1ccc(cc1)-c1cnc2nc(N)nc(N(C)C)c2n1
Show InChI InChI=1S/C15H16N6O/c1-21(2)14-12-13(19-15(16)20-14)17-8-11(18-12)9-4-6-10(22-3)7-5-9/h4-8H,1-3H3,(H2,16,17,19,20)
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n/an/a 7.40E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081593
PNG
(4-Morpholin-4-yl-6-phenyl-pteridin-2-ylamine | CHE...)
Show SMILES Nc1nc(N2CCOCC2)c2nc(cnc2n1)-c1ccccc1
Show InChI InChI=1S/C16H16N6O/c17-16-20-14-13(15(21-16)22-6-8-23-9-7-22)19-12(10-18-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,18,20,21)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081591
PNG
(6-Phenoxymethyl-pteridine-2,4-diamine | CHEMBL1322...)
Show SMILES Nc1nc(N)c2nc(COc3ccccc3)cnc2n1
Show InChI InChI=1S/C13H12N6O/c14-11-10-12(19-13(15)18-11)16-6-8(17-10)7-20-9-4-2-1-3-5-9/h1-6H,7H2,(H4,14,15,16,18,19)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

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


(Sus scrofa)
BDBM50081592
PNG
(2,4-Diamino-7,8-dihydro-6H-pteridine-5-carbaldehyd...)
Show SMILES Nc1nc(N)c2N(CCNc2n1)C=O
Show InChI InChI=1S/C7H10N6O/c8-5-4-6(12-7(9)11-5)10-1-2-13(4)3-14/h3H,1-2H2,(H5,8,9,10,11,12)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Julius-Maximilians University Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)


J Med Chem 42: 4108-21 (1999)

More data for this
Ligand-Target Pair