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Found 724 hits Enz. Inhib. hit(s) with Target = 'Nitric-oxide synthase, brain'   
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, brain


(Rattus norvegicus (rat))
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 6n/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 n-NOS from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50138977
PNG
(CHEMBL419740 | N-(3-Aminomethyl-phenyl)-acetamidin...)
Show SMILES CC(=N)Nc1cccc(CN)c1
Show InChI InChI=1S/C9H13N3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H2,11,12)
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n/an/a 11n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
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 11n/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 n-NOS from rat cerebellum


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

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


(Mus musculus)
BDBM50138191
PNG
((1S,5S,6R,7R)-7-Chloro-5-methyl-2-aza-bicyclo[4.1....)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12
Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of neuronal nitric oxide synthase (nNOS) in mice


Bioorg Med Chem Lett 14: 313-6 (2003)

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


(Rattus norvegicus (rat))
BDBM50098961
PNG
(6-Cyclopropyl-6,7-dihydro-thieno[3,2-c]pyridin-4-y...)
Show SMILES NC1=NC(Cc2sccc12)C1CC1
Show InChI InChI=1S/C10H12N2S/c11-10-7-3-4-13-9(7)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 18n/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 n-NOS from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50141086
PNG
(6-[7-(2-Dimethylamino-ethoxy)-indan-4-yl]-pyridin-...)
Show SMILES CN(C)CCOc1ccc(c2CCCc12)-c1cccc(N)n1
Show InChI InChI=1S/C18H23N3O/c1-21(2)11-12-22-17-10-9-14(13-5-3-6-15(13)17)16-7-4-8-18(19)20-16/h4,7-10H,3,5-6,11-12H2,1-2H3,(H2,19,20)
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n/an/a 21.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
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 25n/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 n-NOS from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50141082
PNG
(6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-n...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12
Show InChI InChI=1S/C19H25N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h5,8-11H,3-4,6-7,12-13H2,1-2H3,(H2,20,21)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM196649
PNG
(US9212144, 4)
Show SMILES Clc1cccc(CNCCc2ccc(NC(=N)c3cccs3)cc2)c1
Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
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n/an/a 35n/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)

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


(Rattus norvegicus (rat))
BDBM50122307
PNG
(CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...)
Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1
Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
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n/an/a 35n/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


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


(Rattus norvegicus (rat))
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 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50098950
PNG
(5-Furan-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7-yl...)
Show SMILES NC1=NC(Cc2ccsc12)c1ccco1
Show InChI InChI=1S/C11H10N2OS/c12-11-10-7(3-5-15-10)6-8(13-11)9-2-1-4-14-9/h1-5,8H,6H2,(H2,12,13)
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n/an/a 40n/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 n-NOS from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50141081
PNG
(6-[4-(1-Methyl-pyrrolidin-3-yloxy)-naphthalen-1-yl...)
Show SMILES CN1CCC(C1)Oc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C20H21N3O/c1-23-12-11-14(13-23)24-19-10-9-16(15-5-2-3-6-17(15)19)18-7-4-8-20(21)22-18/h2-10,14H,11-13H2,1H3,(H2,21,22)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50206073
PNG
(CHEMBL233652 | N-[2-(2-pyridin-2-yl-ethylamino)-be...)
Show SMILES NC(=Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1
Show InChI InChI=1S/C19H17N5S2/c20-18(16-5-3-11-25-16)23-14-6-7-15-17(12-14)26-19(24-15)22-10-8-13-4-1-2-9-21-13/h1-7,9,11-12H,8,10H2,(H2,20,23)(H,22,24)
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n/an/a 50n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal NOS activity


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


(Rattus norvegicus (rat))
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 50n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay


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


(Rattus norvegicus (rat))
BDBM142057
PNG
(US8927730, Aminopyridinea)
Show SMILES CNc1cc(N)nc(NC)c1
Show InChI InChI=1S/C7H12N4/c1-9-5-3-6(8)11-7(4-5)10-2/h3-4H,1-2H3,(H4,8,9,10,11)
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n/an/a 50n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...


US Patent US8927730 (2015)

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


(Rattus norvegicus (rat))
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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n/an/a 50n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum


Bioorg Med Chem Lett 13: 209-12 (2002)

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


(Rattus norvegicus (rat))
BDBM50098953
PNG
(5-Thiophen-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7...)
Show SMILES NC1=NC(Cc2ccsc12)c1cccs1
Show InChI InChI=1S/C11H10N2S2/c12-11-10-7(3-5-15-10)6-8(13-11)9-2-1-4-14-9/h1-5,8H,6H2,(H2,12,13)
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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 n-NOS from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50141089
PNG
(6-[7-(2-Pyrrolidin-1-yl-ethoxy)-indan-4-yl]-pyridi...)
Show SMILES Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCc12
Show InChI InChI=1S/C20H25N3O/c21-20-8-4-7-18(22-20)16-9-10-19(17-6-3-5-15(16)17)24-14-13-23-11-1-2-12-23/h4,7-10H,1-3,5-6,11-14H2,(H2,21,22)
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n/an/a 59n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
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 60n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


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


(Rattus norvegicus (rat))
BDBM50141085
PNG
(6-[4-(2-Pyrrolidin-1-yl-ethoxy)-5,6,7,8-tetrahydro...)
Show SMILES Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCCc12
Show InChI InChI=1S/C21H27N3O/c22-21-9-5-8-19(23-21)17-10-11-20(18-7-2-1-6-16(17)18)25-15-14-24-12-3-4-13-24/h5,8-11H,1-4,6-7,12-15H2,(H2,22,23)
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n/an/a 80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50098954
PNG
(5-Prop-1-ynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-y...)
Show SMILES CC#CC1Cc2ccsc2C(N)=N1
Show InChI InChI=1S/C10H10N2S/c1-2-3-8-6-7-4-5-13-9(7)10(11)12-8/h4-5,8H,6H2,1H3,(H2,11,12)
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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 n-NOS from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50122299
PNG
(CHEMBL538500 | N-[4-(2-Amino-ethyl)-phenyl]-thioph...)
Show SMILES NCCc1ccc(cc1)N=C(N)c1cccs1
Show InChI InChI=1S/C13H15N3S/c14-8-7-10-3-5-11(6-4-10)16-13(15)12-2-1-9-17-12/h1-6,9H,7-8,14H2,(H2,15,16)
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n/an/a 80n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum


Bioorg Med Chem Lett 13: 209-12 (2002)

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


(Rattus norvegicus (rat))
BDBM50141077
PNG
(6-[4-(1-Methyl-pyrrolidin-2-ylmethoxy)-naphthalen-...)
Show SMILES CN1CCCC1COc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C21H23N3O/c1-24-13-5-6-15(24)14-25-20-12-11-17(16-7-2-3-8-18(16)20)19-9-4-10-21(22)23-19/h2-4,7-12,15H,5-6,13-14H2,1H3,(H2,22,23)
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n/an/a 80.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50141074
PNG
(6-{7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-indan-4-...)
Show SMILES CN1CCN(CCOc2ccc(c3CCCc23)-c2cccc(N)n2)CC1
Show InChI InChI=1S/C21H28N4O/c1-24-10-12-25(13-11-24)14-15-26-20-9-8-17(16-4-2-5-18(16)20)19-6-3-7-21(22)23-19/h3,6-9H,2,4-5,10-15H2,1H3,(H2,22,23)
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n/an/a 82n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50141079
PNG
(6-[4-(1-Aza-bicyclo[2.2.2]oct-2-ylmethoxy)-naphtha...)
Show SMILES Nc1cccc(n1)-c1ccc(OCC2CC3CCN2CC3)c2ccccc12
Show InChI InChI=1S/C23H25N3O/c24-23-7-3-6-21(25-23)19-8-9-22(20-5-2-1-4-18(19)20)27-15-17-14-16-10-12-26(17)13-11-16/h1-9,16-17H,10-15H2,(H2,24,25)
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n/an/a 88n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50206064
PNG
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)
Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1
Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)
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n/an/a 90n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal NOS activity


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


(Rattus norvegicus (rat))
BDBM50141088
PNG
(6-[4-(2-Dimethylamino-ethoxy)-6,7,8,9-tetrahydro-5...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCCc12
Show InChI InChI=1S/C20H27N3O/c1-23(2)13-14-24-19-12-11-16(18-9-6-10-20(21)22-18)15-7-4-3-5-8-17(15)19/h6,9-12H,3-5,7-8,13-14H2,1-2H3,(H2,21,22)
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n/an/a 93n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50141083
PNG
(6-{4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-5,6,7,8-...)
Show SMILES CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3CCCCc23)CC1
Show InChI InChI=1S/C22H30N4O/c1-25-11-13-26(14-12-25)15-16-27-21-10-9-18(17-5-2-3-6-19(17)21)20-7-4-8-22(23)24-20/h4,7-10H,2-3,5-6,11-16H2,1H3,(H2,23,24)
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n/an/a 99.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


Citation and Details
More data for this
Ligand-Target Pair
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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n/an/a 100n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type rat nNOS by hemoglobin capture assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50279361
PNG
((+/-)-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)...)
Show SMILES Cc1cc(N)nc(CC2CNCC2NCCNCCc2cccc(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)
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n/an/a 100n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type rat nNOS by hemoglobin capture assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098952
PNG
(6,7-Dihydro-thieno[3,2-c]pyridin-4-ylamine | CHEMB...)
Show SMILES NC1=NCCc2sccc12
Show InChI InChI=1S/C7H8N2S/c8-7-5-2-4-10-6(5)1-3-9-7/h2,4H,1,3H2,(H2,8,9)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


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


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

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


(Rattus norvegicus (rat))
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 100n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibition of conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by neuronal NOS (n NOS) from rat cerebellum


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

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


(Rattus norvegicus (rat))
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 100n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type rat nNOS by hemoglobin capture assay


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


(Rattus norvegicus (rat))
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 100n/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 n-NOS from rat cerebellum


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

More data for this
Ligand-Target Pair
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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n/an/a 100n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type rat nNOS by radioactivity assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50081085
PNG
(1-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O/c26-24-8-4-7-23(27-24)22-11-9-20(10-12-22)13-14-28-15-17-29(18-16-28)25(30)19-21-5-2-1-3-6-21/h1-12H,13-19H2,(H2,26,27)
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n/an/a 108n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)


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

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


(Rattus norvegicus (rat))
BDBM50209245
PNG
(CHEMBL247378)
Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
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n/an/a 110n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visibl...


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


(Rattus norvegicus (rat))
BDBM50122307
PNG
(CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...)
Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1
Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
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n/an/a 120n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum


Bioorg Med Chem Lett 13: 209-12 (2002)

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


(Rattus norvegicus (rat))
BDBM50122300
PNG
(CHEMBL541300 | N-(3-{[3-(4-Hydroxy-3,5-diisopropyl...)
Show SMILES CC(C)c1cc(CCCNCc2cccc(c2)N=C(N)c2cccs2)cc(C(C)C)c1O
Show InChI InChI=1S/C27H35N3OS/c1-18(2)23-15-20(16-24(19(3)4)26(23)31)9-6-12-29-17-21-8-5-10-22(14-21)30-27(28)25-11-7-13-32-25/h5,7-8,10-11,13-16,18-19,29,31H,6,9,12,17H2,1-4H3,(H2,28,30)
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n/an/a 120n/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum


Bioorg Med Chem Lett 13: 209-12 (2002)

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


(Rattus norvegicus (rat))
BDBM50379737
PNG
(CHEMBL2011128)
Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1
Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/a 120n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS


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


(Rattus norvegicus (rat))
BDBM50081082
PNG
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)
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n/an/a 127n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)


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

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


(Rattus norvegicus (rat))
BDBM50081082
PNG
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)
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n/an/a 127n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50081081
PNG
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)
Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc. Groton

Curated by ChEMBL


Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)


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

More data for this
Ligand-Target Pair
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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n/an/a 130n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50098956
PNG
(5-Phenyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamin...)
Show SMILES NC1=NC(Cc2ccsc12)c1ccccc1
Show InChI InChI=1S/C13H12N2S/c14-13-12-10(6-7-16-12)8-11(15-13)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,14,15)
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n/an/a 140n/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 n-NOS from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50141080
PNG
(6-[4-(2-Dimethylamino-cyclohexyloxy)-naphthalen-1-...)
Show SMILES CN(C)C1CCCCC1Oc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C23H27N3O/c1-26(2)20-11-5-6-12-22(20)27-21-15-14-17(16-8-3-4-9-18(16)21)19-10-7-13-23(24)25-19/h3-4,7-10,13-15,20,22H,5-6,11-12H2,1-2H3,(H2,24,25)
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O
Show InChI InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibition of conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by neuronal NOS (n NOS) from rat cerebellum


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

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


(Rattus norvegicus (rat))
BDBM50141084
PNG
(6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyr...)
Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h3-11H,12-13H2,1-2H3,(H2,20,21)
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n/an/a 167n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


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


(Rattus norvegicus (rat))
BDBM50141076
PNG
(6-[4-(2-Pyrrolidin-1-yl-ethoxy)-naphthalen-1-yl]-p...)
Show SMILES Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2ccccc12
Show InChI InChI=1S/C21H23N3O/c22-21-9-5-8-19(23-21)17-10-11-20(18-7-2-1-6-16(17)18)25-15-14-24-12-3-4-13-24/h1-2,5-11H,3-4,12-15H2,(H2,22,23)
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n/an/a 175n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neuronal nitric oxide synthase


Citation and Details
More data for this
Ligand-Target Pair
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