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Found 2000 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain'   
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, brain


(Rattus norvegicus (rat))
BDBM130385
PNG
(6(3amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyrid...)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)
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n/an/an/a 30n/an/an/an/an/a



University of California at Irvine



Assay Description
The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...


Biochemistry 53: 5272-9 (2014)


Article DOI: 10.1021/bi500561h
BindingDB Entry DOI: 10.7270/Q2N01573
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM130384
PNG
(6({[(2R,4S)4{[(6amino4methylpyridin2 yl)oxy]methyl...)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-16(23-17(20)4-12)11-25-10-15-7-14(8-22-15)9-26-19-6-13(2)5-18(21)24-19/h3-6,14-15,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,15+/m0/s1
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n/an/an/a 50n/an/an/an/an/a



University of California at Irvine



Assay Description
The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...


Biochemistry 53: 5272-9 (2014)


Article DOI: 10.1021/bi500561h
BindingDB Entry DOI: 10.7270/Q2N01573
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM130383
PNG
(4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...)
Show SMILES Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1
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n/an/an/a 198n/an/an/an/an/a



University of California at Irvine



Assay Description
The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...


Biochemistry 53: 5272-9 (2014)


Article DOI: 10.1021/bi500561h
BindingDB Entry DOI: 10.7270/Q2N01573
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM130382
PNG
(4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1
Show InChI InChI=1S/C21H30N4O/c1-16-11-19(25-21(22)12-16)13-17-14-23-15-20(17)26-10-6-2-3-7-18-8-4-5-9-24-18/h4-5,8-9,11-12,17,20,23H,2-3,6-7,10,13-15H2,1H3,(H2,22,25)/t17-,20+/m1/s1
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n/an/an/a 212n/an/an/an/an/a



University of California at Irvine



Assay Description
The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...


Biochemistry 53: 5272-9 (2014)


Article DOI: 10.1021/bi500561h
BindingDB Entry DOI: 10.7270/Q2N01573
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50373697
PNG
(Sapropterin | TETRAHYDROBIOPTERIN)
Show SMILES C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
Show InChI InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
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n/an/an/a 1.12E+3n/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Activity of tetrahydrobiopterin free nNOS


Bioorg Med Chem Lett 18: 1563-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.079
BindingDB Entry DOI: 10.7270/Q2V40W2D
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50373696
PNG
(CHEMBL403871)
Show SMILES CC(=O)C1Nc2c(NC1(C)C)nc(N)[nH]c2=O
Show InChI InChI=1S/C10H15N5O2/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7/h6,12H,1-3H3,(H4,11,13,14,15,17)
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n/an/an/a 1.51E+5n/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Activity of tetrahydrobiopterin free nNOS


Bioorg Med Chem Lett 18: 1563-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.079
BindingDB Entry DOI: 10.7270/Q2V40W2D
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM202643
PNG
(US9242957, 7)
Show SMILES N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30)
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5n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...


US Patent US9242957 (2016)


BindingDB Entry DOI: 10.7270/Q24B3047
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM202644
PNG
(US9242957, 8)
Show SMILES N=C(Nc1ccc(CNCCc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1
Show InChI InChI=1S/C25H25N5S2/c26-24(22-6-2-14-31-22)29-20-10-8-19(9-11-20)17-28-13-12-18-4-1-5-21(16-18)30-25(27)23-7-3-15-32-23/h1-11,14-16,28H,12-13,17H2,(H2,26,29)(H2,27,30)
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5n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...


US Patent US9242957 (2016)


BindingDB Entry DOI: 10.7270/Q24B3047
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50255365
PNG
((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1
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5n/an/an/an/an/an/an/an/a



Vibrant Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS


J Med Chem 58: 1064-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00057
BindingDB Entry DOI: 10.7270/Q2348N2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50448825
PNG
(CHEMBL3128245)
Show SMILES NC(=Nc1cccc(CCNCc2cccc(c2)N=C(N)c2cccs2)c1)c1cccs1
Show InChI InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30)
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5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as nitric oxide formation measured for 60...


J Med Chem 57: 686-700 (2014)


Article DOI: 10.1021/jm401252e
BindingDB Entry DOI: 10.7270/Q2SF2XNP
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50448835
PNG
(CHEMBL3128246)
Show SMILES NC(=Nc1ccc(CCNCc2cccc(c2)N=C(N)c2cccs2)cc1)c1cccs1
Show InChI InChI=1S/C25H25N5S2/c26-24(22-6-2-14-31-22)29-20-10-8-18(9-11-20)12-13-28-17-19-4-1-5-21(16-19)30-25(27)23-7-3-15-32-23/h1-11,14-16,28H,12-13,17H2,(H2,26,29)(H2,27,30)
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5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as nitric oxide formation measured for 60...


J Med Chem 57: 686-700 (2014)


Article DOI: 10.1021/jm401252e
BindingDB Entry DOI: 10.7270/Q2SF2XNP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of nNOS


J Med Chem 54: 2039-48 (2011)


Article DOI: 10.1021/jm101071n
BindingDB Entry DOI: 10.7270/Q2571CB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50095181
PNG
(CHEMBL96680 | N-(3-Aminomethyl-phenyl)-furan-2-car...)
Show SMILES NCc1cccc(NC(=N)c2ccco2)c1
Show InChI InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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6.30n/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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50095181
PNG
(CHEMBL96680 | N-(3-Aminomethyl-phenyl)-furan-2-car...)
Show SMILES NCc1cccc(NC(=N)c2ccco2)c1
Show InChI InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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6.30n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against neuronal Nitric Oxide Synthase(nNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50065807
PNG
(CHEMBL552825 | N-(3-Aminomethyl-phenyl)-furan-2-ca...)
Show SMILES NCc1cccc(c1)N=C(N)c1ccco1
Show InChI InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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6.30n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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7n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37 C. in HEPES b...


US Patent US9212144 (2015)


BindingDB Entry DOI: 10.7270/Q2K0732P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assay


Bioorg Med Chem Lett 20: 6258-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.096
BindingDB Entry DOI: 10.7270/Q28P60R4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay


J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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7n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem 21: 1333-43 (2013)


Article DOI: 10.1016/j.bmc.2012.12.019
BindingDB Entry DOI: 10.7270/Q20G3MG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...


Bioorg Med Chem 21: 5323-31 (2013)


Article DOI: 10.1016/j.bmc.2013.06.014
BindingDB Entry DOI: 10.7270/Q2PZ5B7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50278675
PNG
((+/-)-cis-6-((4-(2-(3-Fluorophenethylamino)-ethoxy...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m0/s1
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7n/an/an/an/an/an/an/an/a



Vibrant Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS


J Med Chem 58: 1064-6 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00057
BindingDB Entry DOI: 10.7270/Q2348N2Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50095172
PNG
(CHEMBL262040 | N-(3-Aminomethyl-phenyl)-thiophene-...)
Show SMILES NCc1cccc(NC(=N)c2cccs2)c1
Show InChI InChI=1S/C12H13N3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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8.70n/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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50095172
PNG
(CHEMBL262040 | N-(3-Aminomethyl-phenyl)-thiophene-...)
Show SMILES NCc1cccc(NC(=N)c2cccs2)c1
Show InChI InChI=1S/C12H13N3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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8.70n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against neuronal Nitric Oxide Synthase(nNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50065843
PNG
(CHEMBL553081 | CHEMBL555715 | N-(3-Aminomethyl-phe...)
Show SMILES NCc1cccc(c1)N=C(N)c1cccs1
Show InChI InChI=1S/C12H13N3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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8.70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446250
PNG
(CHEMBL3109188)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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9.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM196648
PNG
(US9212144, 3 | US9242957, 65)
Show SMILES Fc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1
Show InChI InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
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11n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37 C. in HEPES b...


US Patent US9212144 (2015)


BindingDB Entry DOI: 10.7270/Q2K0732P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM196648
PNG
(US9212144, 3 | US9242957, 65)
Show SMILES Fc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1
Show InChI InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
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11n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...


US Patent US9242957 (2016)


BindingDB Entry DOI: 10.7270/Q24B3047
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50271464
PNG
(CHEMBL455310 | N-(3-Aminomethyl-phenyl)-2-fluoro-a...)
Show SMILES NCc1cccc(NC(=N)CF)c1
Show InChI InChI=1S/C9H12FN3/c10-5-9(12)13-8-3-1-2-7(4-8)6-11/h1-4H,5-6,11H2,(H2,12,13)
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11n/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
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50065813
PNG
(CHEMBL555584 | N-(3-Aminomethyl-phenyl)-2-fluoro-a...)
Show SMILES NCc1cccc(c1)N=C(N)CF
Show InChI InChI=1S/C9H12FN3/c10-5-9(12)13-8-3-1-2-7(4-8)6-11/h1-4H,5-6,11H2,(H2,12,13)
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11n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50448833
PNG
(CHEMBL3125048)
Show SMILES NC(=Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1
Show InChI InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
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11n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as nitric oxide formation measured for 60...


J Med Chem 57: 686-700 (2014)


Article DOI: 10.1021/jm401252e
BindingDB Entry DOI: 10.7270/Q2SF2XNP
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50448833
PNG
(CHEMBL3125048)
Show SMILES NC(=Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1
Show InChI InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
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11n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay


J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50065823
PNG
(CHEMBL555794 | N-(3-Aminomethyl-phenyl)-2-methylsu...)
Show SMILES CSCC(N)=Nc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
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11n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50271363
PNG
(CHEMBL476988 | N-(3-Aminomethyl-phenyl)-2-methylsu...)
Show SMILES CSCC(=N)Nc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
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11n/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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50023383
PNG
(CHEMBL3325611)
Show SMILES N=C(Nc1cccc(COC[C@@H]2C[C@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25+/m0/s1
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13n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


Bioorg Med Chem Lett 24: 4504-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.079
BindingDB Entry DOI: 10.7270/Q2542Q57
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM190667
PNG
(nNOS inhibitor, 5)
Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)
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13n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for ...


J Med Chem 59: 4913-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00273
BindingDB Entry DOI: 10.7270/Q2J38VHQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM202651
PNG
(US9242957, QJ-II-194)
Show SMILES N=C(Nc1cccc(COC[C@H]2NCC[C@@H]2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-13-37-26)33-22-7-1-5-20(15-22)17-35-19-24-25(11-12-32-24)36-18-21-6-2-8-23(16-21)34-29(31)27-10-4-14-38-27/h1-10,13-16,24-25,32H,11-12,17-19H2,(H2,30,33)(H2,31,34)/t24-,25+/m1/s1
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13.2n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...


US Patent US9242957 (2016)


BindingDB Entry DOI: 10.7270/Q24B3047
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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14n/an/an/an/an/an/an/an/a



Northwestern University; The Regents of the University of California

US Patent


Assay Description
Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...


US Patent US9090589 (2015)


BindingDB Entry DOI: 10.7270/Q2QR4VW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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14n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37 C. in HEPES b...


US Patent US9212144 (2015)


BindingDB Entry DOI: 10.7270/Q2K0732P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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14n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay


J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50255365
PNG
((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1
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14n/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))
BDBM50255365
PNG
((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1
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14n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assay


Bioorg Med Chem 17: 2371-80 (2009)


Article DOI: 10.1016/j.bmc.2009.02.017
BindingDB Entry DOI: 10.7270/Q2M32VNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50023384
PNG
(CHEMBL3325610 | US9242957, QJ-II-203)
Show SMILES NC[C@@H](COCc1cccc(NC(=N)c2cccs2)c1)OCc1cccc(NC(=N)c2cccs2)c1
Show InChI InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m0/s1
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14.7n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...


US Patent US9242957 (2016)


BindingDB Entry DOI: 10.7270/Q24B3047
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50278675
PNG
((+/-)-cis-6-((4-(2-(3-Fluorophenethylamino)-ethoxy...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m0/s1
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15n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assay


Bioorg Med Chem 17: 2371-80 (2009)


Article DOI: 10.1016/j.bmc.2009.02.017
BindingDB Entry DOI: 10.7270/Q2M32VNV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50279392
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(CC2CNCC2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)
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15n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assay


Bioorg Med Chem Lett 20: 554-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.086
BindingDB Entry DOI: 10.7270/Q20G3K86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(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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15n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50023384
PNG
(CHEMBL3325610 | US9242957, QJ-II-203)
Show SMILES NC[C@@H](COCc1cccc(NC(=N)c2cccs2)c1)OCc1cccc(NC(=N)c2cccs2)c1
Show InChI InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m0/s1
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15n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


Bioorg Med Chem Lett 24: 4504-10 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.079
BindingDB Entry DOI: 10.7270/Q2542Q57
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (human))
BDBM50271882
PNG
(2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ET...)
Show SMILES NC(=N)SCCc1ccc(CCSC(N)=N)cc1
Show InChI InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)
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16n/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
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM190667
PNG
(nNOS inhibitor, 5)
Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)
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16n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 ...


J Med Chem 59: 4913-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00273
BindingDB Entry DOI: 10.7270/Q2J38VHQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM190667
PNG
(nNOS inhibitor, 5)
Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)
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16.4n/an/an/an/an/an/an/an/a



University of California , Irvine



Assay Description
The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...


Biochemistry 55: 3702-7 (2016)


Article DOI: 10.1021/acs.biochem.6b00261
BindingDB Entry DOI: 10.7270/Q2WW7GFX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM152712
PNG
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
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17n/an/an/an/an/an/an/an/a



University of California , Irvine



Assay Description
The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ...


Biochemistry 55: 3702-7 (2016)


Article DOI: 10.1021/acs.biochem.6b00261
BindingDB Entry DOI: 10.7270/Q2WW7GFX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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