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Compile Data Set for Download or QSAR

Found 430 hits with Last Name = 'jing' and Initial = 'q'   
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))
BDBM202643
PNG
(US9242957, 7)
Show SMILES N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30)
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5n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


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



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


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



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 21: 5323-31 (2013)


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


(Rattus norvegicus (rat))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


ACS Med Chem Lett 5: 56-60 (2014)


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


(Homo sapiens (Human))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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10n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


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



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


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


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


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



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


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



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


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



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


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


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


(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

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Rattus norvegicus (rat))
BDBM152723
PNG
(N-[3-({[(3S,5R)-5-({[3-(thiophene-2-imidamido)phen...)
Show SMILES N=C(Nc1cccc(COC[C@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25+/m1/s1
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21n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


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


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


(Rattus norvegicus (rat))
BDBM152720
PNG
(N-[3-({[(3S,5S)-5-({[3-(thiophene-2-imidamido)phen...)
Show SMILES N=C(Nc1cccc(COC[C@@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m0/s1
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21.4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


(Rattus norvegicus (rat))
BDBM152720
PNG
(N-[3-({[(3S,5S)-5-({[3-(thiophene-2-imidamido)phen...)
Show SMILES N=C(Nc1cccc(COC[C@@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m0/s1
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22n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


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


Article DOI: 10.1016/j.bmcl.2014.07.079
BindingDB Entry DOI: 10.7270/Q2542Q57
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM202649
PNG
(US9242957, QJ-II-195)
Show SMILES N=C(Nc1cccc(COCC2NCCC2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-13-37-26)33-22-7-1-5-20(15-22)17-35-19-24-25(11-12-32-24)36-18-21-6-2-8-23(16-21)34-29(31)27-10-4-14-38-27/h1-10,13-16,24-25,32H,11-12,17-19H2,(H2,30,33)(H2,31,34)
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22.1n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


(Homo sapiens (Human))
BDBM50014717
PNG
(CHEMBL3262026 | US9951014, Name 8R)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)[C@H](CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)/t17-/m0/s1
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24n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Homo sapiens (Human))
BDBM50341682
PNG
(6,6'-(2,2'-(Pyridine-3,5-diyl)bis(ethane-2,1-diyl)...)
Show SMILES Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1
Show InChI InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26)
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25n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Rattus norvegicus (rat))
BDBM50446252
PNG
(CHEMBL3109186 | US9732037, Compound 6)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m0/s1
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26n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


ACS Med Chem Lett 5: 56-60 (2014)


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


(Homo sapiens (Human))
BDBM50446252
PNG
(CHEMBL3109186 | US9732037, Compound 6)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m0/s1
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26n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50023386
PNG
(CHEMBL3327299)
Show SMILES N=C(Nc1ccc(OC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1
Show InChI InChI=1S/C27H27N5O2S2/c28-26(24-6-2-12-35-24)31-18-8-10-21(11-9-18)33-17-20-15-23(16-30-20)34-22-5-1-4-19(14-22)32-27(29)25-7-3-13-36-25/h1-14,20,23,30H,15-17H2,(H2,28,31)(H2,29,32)/t20-,23+/m0/s1
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27n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


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


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


(Rattus norvegicus (rat))
BDBM202653
PNG
(US9242957, QJ-III-33)
Show SMILES N=C(Nc1ccc(OC[C@H]2NCC[C@@H]2Oc2cccc(NC(=N)c3cccs3)c2)cc1)c1cccs1
Show InChI InChI=1S/C27H27N5O2S2/c28-26(24-6-2-14-35-24)31-18-8-10-20(11-9-18)33-17-22-23(12-13-30-22)34-21-5-1-4-19(16-21)32-27(29)25-7-3-15-36-25/h1-11,14-16,22-23,30H,12-13,17H2,(H2,28,31)(H2,29,32)/t22-,23+/m1/s1
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27n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


(Rattus norvegicus (rat))
BDBM389154
PNG
(US9951014, Name 23f)
Show SMILES Cc1cc(N)nc(CCc2cc(F)cc(NCc3cccc(Cl)c3)c2)c1
Show InChI InChI=1S/C21H21ClFN3/c1-14-7-19(26-21(24)8-14)6-5-15-10-18(23)12-20(11-15)25-13-16-3-2-4-17(22)9-16/h2-4,7-12,25H,5-6,13H2,1H3,(H2,24,26)
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27n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Rattus norvegicus (rat))
BDBM50023382
PNG
(CHEMBL3325612)
Show SMILES N=C(Nc1cccc(COC[C@H]2C[C@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,32H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m1/s1
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28n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


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


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


(Rattus norvegicus (rat))
BDBM50023387
PNG
(CHEMBL3327298)
Show SMILES N=C(Nc1cccc(OC[C@@H]2C[C@H](CN2)Oc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C27H27N5O2S2/c28-26(24-9-3-11-35-24)31-18-5-1-7-21(13-18)33-17-20-15-23(16-30-20)34-22-8-2-6-19(14-22)32-27(29)25-10-4-12-36-25/h1-14,20,23,30H,15-17H2,(H2,28,31)(H2,29,32)/t20-,23+/m0/s1
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28n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat nNOS using L-arginine substrate


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


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


(Rattus norvegicus (rat))
BDBM202650
PNG
(US9242957, QJ-II-187)
Show SMILES N=C(Nc1cccc(COC[C@@H]2NCC[C@@H]2OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C29H31N5O2S2/c30-28(26-9-3-13-37-26)33-22-7-1-5-20(15-22)17-35-19-24-25(11-12-32-24)36-18-21-6-2-8-23(16-21)34-29(31)27-10-4-14-38-27/h1-10,13-16,24-25,32H,11-12,17-19H2,(H2,30,33)(H2,31,34)/t24-,25-/m0/s1
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28.1n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


(Rattus norvegicus (rat))
BDBM202652
PNG
(US9242957, QJ-III-08)
Show SMILES N=C(Nc1cccc(OC[C@H]2NCC[C@@H]2Oc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C27H27N5O2S2/c28-26(24-9-3-13-35-24)31-18-5-1-7-20(15-18)33-17-22-23(11-12-30-22)34-21-8-2-6-19(16-21)32-27(29)25-10-4-14-36-25/h1-10,13-16,22-23,30H,11-12,17H2,(H2,28,31)(H2,29,32)/t22-,23+/m1/s1
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28.2n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


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


US Patent US9242957 (2016)


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


(Homo sapiens (Human))
BDBM50014715
PNG
(CHEMBL3262024 | US9951014, Name 8)
Show SMILES Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28)
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30n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Homo sapiens (Human))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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31n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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31n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


ACS Med Chem Lett 5: 56-60 (2014)


Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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32n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM389149
PNG
(US9951014, Name 23b)
Show SMILES CCNCCN(C)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27FN4/c1-4-22-7-8-24(3)18-12-15(11-16(20)13-18)5-6-17-9-14(2)10-19(21)23-17/h9-13,22H,4-8H2,1-3H3,(H2,21,23)
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32n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Rattus norvegicus (rat))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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32n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50438646
PNG
(CHEMBL2414427)
Show SMILES Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-13-9-15(21-17(19)11-13)7-5-3-4-6-8-16-10-14(2)12-18(20)22-16/h9-12H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)
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33n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 21: 5323-31 (2013)


Article DOI: 10.1016/j.bmc.2013.06.014
BindingDB Entry DOI: 10.7270/Q2PZ5B7N
More data for this
Ligand-Target Pair
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

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Homo sapiens (Human))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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34n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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34n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


ACS Med Chem Lett 5: 56-60 (2014)


Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
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

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Homo sapiens (Human))
BDBM50441008
PNG
(CHEMBL2430150 | US9732037, Compound 20)
Show SMILES C[C@H](OCc1cc(C)cc(N)n1)[C@@H](N)COCc1cc(C)cc(N)n1
Show InChI InChI=1S/C18H27N5O2/c1-11-4-14(22-17(20)6-11)8-24-10-16(19)13(3)25-9-15-5-12(2)7-18(21)23-15/h4-7,13,16H,8-10,19H2,1-3H3,(H2,20,22)(H2,21,23)/t13-,16-/m0/s1
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37n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50441008
PNG
(CHEMBL2430150 | US9732037, Compound 20)
Show SMILES C[C@H](OCc1cc(C)cc(N)n1)[C@@H](N)COCc1cc(C)cc(N)n1
Show InChI InChI=1S/C18H27N5O2/c1-11-4-14(22-17(20)6-11)8-24-10-16(19)13(3)25-9-15-5-12(2)7-18(21)23-15/h4-7,13,16H,8-10,19H2,1-3H3,(H2,20,22)(H2,21,23)/t13-,16-/m0/s1
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37n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50438641
PNG
(CHEMBL2414435 | US9732037, Compound 4)
Show SMILES Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
Show InChI InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)
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40n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50438641
PNG
(CHEMBL2414435 | US9732037, Compound 4)
Show SMILES Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
Show InChI InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)
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40n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 21: 5323-31 (2013)


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


(Rattus norvegicus (rat))
BDBM389152
PNG
(US9951014, Name 23d)
Show SMILES CCN(CCNC)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27FN4/c1-4-24(8-7-22-3)18-12-15(11-16(20)13-18)5-6-17-9-14(2)10-19(21)23-17/h9-13,22H,4-8H2,1-3H3,(H2,21,23)
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46n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Rattus norvegicus (rat))
BDBM50441007
PNG
(CHEMBL2430149 | US9732037, Compound 19)
Show SMILES C[C@@H](OCc1cc(C)cc(N)n1)[C@H](N)COCc1cc(C)cc(N)n1
Show InChI InChI=1S/C18H27N5O2/c1-11-4-14(22-17(20)6-11)8-24-10-16(19)13(3)25-9-15-5-12(2)7-18(21)23-15/h4-7,13,16H,8-10,19H2,1-3H3,(H2,20,22)(H2,21,23)/t13-,16-/m1/s1
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47n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50441007
PNG
(CHEMBL2430149 | US9732037, Compound 19)
Show SMILES C[C@@H](OCc1cc(C)cc(N)n1)[C@H](N)COCc1cc(C)cc(N)n1
Show InChI InChI=1S/C18H27N5O2/c1-11-4-14(22-17(20)6-11)8-24-10-16(19)13(3)25-9-15-5-12(2)7-18(21)23-15/h4-7,13,16H,8-10,19H2,1-3H3,(H2,20,22)(H2,21,23)/t13-,16-/m1/s1
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47n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q26W9D6H
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50438638
PNG
(CHEMBL2414426)
Show SMILES Cc1cc(N)nc(CCCCCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-12-8-14(20-16(18)10-12)6-4-3-5-7-15-9-13(2)11-17(19)21-15/h8-11H,3-7H2,1-2H3,(H2,18,20)(H2,19,21)
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48n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 21: 5323-31 (2013)


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


(Homo sapiens (Human))
BDBM50341684
PNG
(6,6'-(2,2'-(1,3-Phenylene)bis(ethane-2,1-diyl))bis...)
Show SMILES Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)c2)c1
Show InChI InChI=1S/C22H26N4/c1-15-10-19(25-21(23)12-15)8-6-17-4-3-5-18(14-17)7-9-20-11-16(2)13-22(24)26-20/h3-5,10-14H,6-9H2,1-2H3,(H2,23,25)(H2,24,26)
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49n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Rattus norvegicus (rat))
BDBM389151
PNG
(US9951014, Name 23c)
Show SMILES CN(CCNC1CC1)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C20H27FN4/c1-14-9-18(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(2)8-7-23-17-5-6-17/h9-13,17,23H,3-8H2,1-2H3,(H2,22,24)
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50n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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


(Homo sapiens (Human))
BDBM50014713
PNG
(CHEMBL3262022 | US9951014, Name 6)
Show SMILES Cc1cc(N)nc(CCc2cccc(c2)C(CN)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C23H29N5/c1-15-8-20(27-22(25)10-15)7-6-17-4-3-5-18(12-17)19(14-24)13-21-9-16(2)11-23(26)28-21/h3-5,8-12,19H,6-7,13-14,24H2,1-2H3,(H2,25,27)(H2,26,28)
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53n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

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

US Patent


Assay Description
The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each com...


US Patent US9951014 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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