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PubMed code 26120733

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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))
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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50093349
PNG
(CHEMBL3586664 | US9951014, Name 19c)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
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24n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50093348
PNG
(CHEMBL3586663 | US9951014, Name 19b)
Show SMILES CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
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34n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM152713
PNG
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)
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35n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50093349
PNG
(CHEMBL3586664 | US9951014, Name 19c)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
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55n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50093341
PNG
(CHEMBL3586658 | US9951014, Name 10c)
Show SMILES CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
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56n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
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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59n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50093341
PNG
(CHEMBL3586658 | US9951014, Name 10c)
Show SMILES CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
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62n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM152713
PNG
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)
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64n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50093344
PNG
(CHEMBL3586662 | US9951014, Name 19a)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
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67n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM152711
PNG
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
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98n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50093348
PNG
(CHEMBL3586663 | US9951014, Name 19b)
Show SMILES CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
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105n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50093342
PNG
(CHEMBL3586659 | US9951014, Name 10d)
Show SMILES CN(CCCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21)
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109n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50093350
PNG
(CHEMBL3586657)
Show SMILES CN(C)CCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21)
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111n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM152711
PNG
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
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130n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50093344
PNG
(CHEMBL3586662 | US9951014, Name 19a)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
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189n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50093350
PNG
(CHEMBL3586657)
Show SMILES CN(C)CCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21)
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190n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50093342
PNG
(CHEMBL3586659 | US9951014, Name 10d)
Show SMILES CN(CCCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21)
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430n/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 oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
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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2.15E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50093341
PNG
(CHEMBL3586658 | US9951014, Name 10c)
Show SMILES CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
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2.90E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50093349
PNG
(CHEMBL3586664 | US9951014, Name 19c)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
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3.67E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50093342
PNG
(CHEMBL3586659 | US9951014, Name 10d)
Show SMILES CN(CCCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21)
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4.64E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152713
PNG
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)
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4.85E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM152711
PNG
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
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5.34E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50093350
PNG
(CHEMBL3586657)
Show SMILES CN(C)CCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21)
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5.43E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50093348
PNG
(CHEMBL3586663 | US9951014, Name 19b)
Show SMILES CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
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5.56E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50093344
PNG
(CHEMBL3586662 | US9951014, Name 19a)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
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8.13E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50093341
PNG
(CHEMBL3586658 | US9951014, Name 10c)
Show SMILES CN(CCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-10-15(20-17(19)11-13)7-6-14-4-3-5-16(12-14)21(2)9-8-18/h3-5,10-12H,6-9,18H2,1-2H3,(H2,19,20)
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1.07E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50093342
PNG
(CHEMBL3586659 | US9951014, Name 10d)
Show SMILES CN(CCCN)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(20)12-14)8-7-15-5-3-6-17(13-15)22(2)10-4-9-19/h3,5-6,11-13H,4,7-10,19H2,1-2H3,(H2,20,21)
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1.07E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
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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1.29E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50093344
PNG
(CHEMBL3586662 | US9951014, Name 19a)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
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1.59E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM152713
PNG
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)
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1.77E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM152711
PNG
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
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2.02E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50093350
PNG
(CHEMBL3586657)
Show SMILES CN(C)CCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H28N4/c1-15-12-17(21-19(20)13-15)9-8-16-6-5-7-18(14-16)23(4)11-10-22(2)3/h5-7,12-14H,8-11H2,1-4H3,(H2,20,21)
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2.37E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50093349
PNG
(CHEMBL3586664 | US9951014, Name 19c)
Show SMILES CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
Show InChI InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
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2.50E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50093348
PNG
(CHEMBL3586663 | US9951014, Name 19b)
Show SMILES CNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H25FN4/c1-13-8-16(22-18(20)9-13)5-4-14-10-15(19)12-17(11-14)23(3)7-6-21-2/h8-12,21H,4-7H2,1-3H3,(H2,20,22)
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3.02E+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 by oxyhemoglobin NO assay


J Med Chem 58: 5548-60 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00573
BindingDB Entry DOI: 10.7270/Q2319XN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%