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Compile Data Set for Download or QSAR

Found 19 hits of ki for monomerid = 190667   
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


(Homo sapiens (Human))
BDBM190667
PNG
(US10759791, Compound 14j | 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

US Patent


Assay Description
Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...


US Patent US10759791 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1PZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM190667
PNG
(US10759791, Compound 14j | 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

US Patent


Assay Description
Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...


US Patent US10759791 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1PZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM190667
PNG
(US10759791, Compound 14j | 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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...


J Med Chem 60: 9360-9375 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01356
BindingDB Entry DOI: 10.7270/Q2280B1K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM190667
PNG
(US10759791, Compound 14j | 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))
BDBM190667
PNG
(US10759791, Compound 14j | 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
(US10759791, Compound 14j | 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

US Patent


Assay Description
Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...


US Patent US10759791 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1PZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Rattus norvegicus)
BDBM190667
PNG
(US10759791, Compound 14j | 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

US Patent


Assay Description
Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...


US Patent US10759791 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1PZG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM190667
PNG
(US10759791, Compound 14j | 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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...


J Med Chem 60: 9360-9375 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01356
BindingDB Entry DOI: 10.7270/Q2280B1K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM190667
PNG
(US10759791, Compound 14j | 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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16.4 -46.2n/an/an/an/an/a7.437



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 [D597N]


(Rattus norvegicus (rat))
BDBM190667
PNG
(US10759791, Compound 14j | 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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46.7 -43.5n/an/an/an/an/a7.437



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)
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N]


(Rattus norvegicus (rats))
BDBM190667
PNG
(US10759791, Compound 14j | 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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65.3 -42.7n/an/an/an/an/a7.437



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, inducible


(Mus musculus (mouse))
BDBM190667
PNG
(US10759791, Compound 14j | 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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1.89E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production me...


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
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM190667
PNG
(US10759791, Compound 14j | 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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1.89E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...


J Med Chem 60: 9360-9375 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01356
BindingDB Entry DOI: 10.7270/Q2280B1K
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM190667
PNG
(US10759791, Compound 14j | 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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1.89E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...


US Patent US10759791 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1PZG
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM190667
PNG
(US10759791, Compound 14j | 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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1.32E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...


US Patent US10759791 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1PZG
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM190667
PNG
(US10759791, Compound 14j | 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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1.32E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS 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
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM190667
PNG
(US10759791, Compound 14j | 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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2.29E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS 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
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM190667
PNG
(US10759791, Compound 14j | 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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2.29E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...


US Patent US10759791 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1PZG
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM190667
PNG
(US10759791, Compound 14j | 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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2.29E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...


J Med Chem 60: 9360-9375 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01356
BindingDB Entry DOI: 10.7270/Q2280B1K
More data for this
Ligand-Target Pair