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Patent code US9783500

Compile Data Set for Download or QSAR
Found 109 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


(Homo sapiens (Human))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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19n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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19n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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21n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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21n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344409
PNG
(US9783500, Compound 5)
Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1
Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)
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21n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344416
PNG
(US9783500, Compound 11)
Show SMILES CN(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-21(2)15-4-3-5-16(11-15)22-12-13-6-7-14-8-9-18(19)20-17(14)10-13/h3-11H,12H2,1-2H3,(H2,19,20)
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24n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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25n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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25n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344417
PNG
(US9783500, Compound 12)
Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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28n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344409
PNG
(US9783500, Compound 5)
Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1
Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)
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31n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344416
PNG
(US9783500, Compound 11)
Show SMILES CN(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-21(2)15-4-3-5-16(11-15)22-12-13-6-7-14-8-9-18(19)20-17(14)10-13/h3-11H,12H2,1-2H3,(H2,19,20)
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31n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344409
PNG
(US9783500, Compound 5)
Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1
Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)
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31n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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32n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344419
PNG
(US9783500, Compound 14)
Show SMILES CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)
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33n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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33n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344413
PNG
(US9783500, Compound 8)
Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
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35n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344413
PNG
(US9783500, Compound 8)
Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
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36n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344421
PNG
(US9783500, Compound 16)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F
Show InChI InChI=1S/C18H18FN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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36n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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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37n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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37n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

More data for this
Ligand-Target Pair
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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37n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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39n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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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41n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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42n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344426
PNG
(US9783500, Compound (S)-19)
Show SMILES CN[C@@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m0/s1
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46n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

More data for this
Ligand-Target Pair
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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49n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344424
PNG
(US9783500, Compound rac-19)
Show SMILES CNC(C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)
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50n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344426
PNG
(US9783500, Compound (S)-19)
Show SMILES CN[C@@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m0/s1
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50n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344419
PNG
(US9783500, Compound 14)
Show SMILES CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)
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51n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344417
PNG
(US9783500, Compound 12)
Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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52n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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52n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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52n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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54n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344414
PNG
(US9783500, Compound 9)
Show SMILES CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C21H25N3O/c1-24(2)12-4-6-16-5-3-7-19(13-16)25-15-17-8-9-18-10-11-21(22)23-20(18)14-17/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H2,22,23)
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54n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344421
PNG
(US9783500, Compound 16)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F
Show InChI InChI=1S/C18H18FN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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56n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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58n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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60n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344425
PNG
(US9783500, Compound (R)-19)
Show SMILES CN[C@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m1/s1
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61n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344420
PNG
(US9783500, Compound 15)
Show SMILES CNCc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-7-16(8-4-13)22-12-14-2-5-15-6-9-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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63n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344425
PNG
(US9783500, Compound (R)-19)
Show SMILES CN[C@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m1/s1
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65n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

More data for this
Ligand-Target Pair
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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66n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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71n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344424
PNG
(US9783500, Compound rac-19)
Show SMILES CNC(C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)
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74n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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78n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344409
PNG
(US9783500, Compound 5)
Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1
Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)
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79n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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82n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344414
PNG
(US9783500, Compound 9)
Show SMILES CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C21H25N3O/c1-24(2)12-4-6-16-5-3-7-19(13-16)25-15-17-8-9-18-10-11-21(22)23-20(18)14-17/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H2,22,23)
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125n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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135n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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135n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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142n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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216n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Rattus norvegicus (rat))
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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216n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(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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273n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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295n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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295n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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295n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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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318n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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318n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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440n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(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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581n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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911n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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911n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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2.08E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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3.34E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344421
PNG
(US9783500, Compound 16)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F
Show InChI InChI=1S/C18H18FN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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3.42E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344417
PNG
(US9783500, Compound 12)
Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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4.19E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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4.70E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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4.83E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344421
PNG
(US9783500, Compound 16)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F
Show InChI InChI=1S/C18H18FN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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5.04E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344409
PNG
(US9783500, Compound 5)
Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1
Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)
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5.15E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344419
PNG
(US9783500, Compound 14)
Show SMILES CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)
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5.44E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344416
PNG
(US9783500, Compound 11)
Show SMILES CN(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-21(2)15-4-3-5-16(11-15)22-12-13-6-7-14-8-9-18(19)20-17(14)10-13/h3-11H,12H2,1-2H3,(H2,19,20)
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5.61E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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5.75E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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5.79E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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6.08E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344419
PNG
(US9783500, Compound 14)
Show SMILES CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)
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6.09E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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6.66E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344416
PNG
(US9783500, Compound 11)
Show SMILES CN(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-21(2)15-4-3-5-16(11-15)22-12-13-6-7-14-8-9-18(19)20-17(14)10-13/h3-11H,12H2,1-2H3,(H2,19,20)
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6.70E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344425
PNG
(US9783500, Compound (R)-19)
Show SMILES CN[C@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m1/s1
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7.35E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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7.41E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344417
PNG
(US9783500, Compound 12)
Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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7.44E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(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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9.49E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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1.03E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344424
PNG
(US9783500, Compound rac-19)
Show SMILES CNC(C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)
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1.08E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(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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1.18E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344413
PNG
(US9783500, Compound 8)
Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
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1.22E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344413
PNG
(US9783500, Compound 8)
Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
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1.25E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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1.30E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344424
PNG
(US9783500, Compound rac-19)
Show SMILES CNC(C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)
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1.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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1.52E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344425
PNG
(US9783500, Compound (R)-19)
Show SMILES CN[C@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m1/s1
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1.61E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344409
PNG
(US9783500, Compound 5)
Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1
Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)
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1.68E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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1.73E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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1.89E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344420
PNG
(US9783500, Compound 15)
Show SMILES CNCc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-7-16(8-4-13)22-12-14-2-5-15-6-9-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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1.99E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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2.10E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(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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2.13E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344426
PNG
(US9783500, Compound (S)-19)
Show SMILES CN[C@@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m0/s1
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2.21E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(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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2.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344426
PNG
(US9783500, Compound (S)-19)
Show SMILES CN[C@@H](C)c1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4O/c1-12(20-2)15-8-16(10-21-9-15)23-11-13-3-4-14-5-6-18(19)22-17(14)7-13/h3-10,12,20H,11H2,1-2H3,(H2,19,22)/t12-/m0/s1
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2.56E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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2.57E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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2.77E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
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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2.84E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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3.27E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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3.32E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
BDBM344414
PNG
(US9783500, Compound 9)
Show SMILES CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C21H25N3O/c1-24(2)12-4-6-16-5-3-7-19(13-16)25-15-17-8-9-18-10-11-21(22)23-20(18)14-17/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H2,22,23)
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4.05E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344414
PNG
(US9783500, Compound 9)
Show SMILES CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C21H25N3O/c1-24(2)12-4-6-16-5-3-7-19(13-16)25-15-17-8-9-18-10-11-21(22)23-20(18)14-17/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H2,22,23)
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4.30E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Mus musculus)
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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4.40E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

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


(Homo sapiens (Human))
BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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8.42E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...


US Patent US9783500 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%