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PubMed code 20673724

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325188
PNG
(6-(((3S,4S)-4-((4'-Fluoro-3'-methylbiphenyl-4-yl)m...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(C)c2)c1 |r|
Show InChI InChI=1S/C25H28FN3O/c1-16-9-22(29-25(27)10-16)12-21-13-28-14-24(21)30-15-18-3-5-19(6-4-18)20-7-8-23(26)17(2)11-20/h3-11,21,24,28H,12-15H2,1-2H3,(H2,27,29)/t21-,24+/m1/s1
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620n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325185
PNG
(6-(((3S,4S)-4-((3'-Chlorobiphenyl-4-yl)methoxy)pyr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C24H26FN3O/c1-16-9-22(28-24(26)10-16)12-20-13-27-14-23(20)29-15-17-5-7-18(8-6-17)19-3-2-4-21(25)11-19/h2-11,20,23,27H,12-15H2,1H3,(H2,26,28)/t20-,23+/m1/s1
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750n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325189
PNG
(6-(((3S,4S)-4-((3'-Chloro-4'-fluorobiphenyl-4-yl)m...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(Cl)c2)c1 |r|
Show InChI InChI=1S/C24H25ClFN3O/c1-15-8-20(29-24(27)9-15)10-19-12-28-13-23(19)30-14-16-2-4-17(5-3-16)18-6-7-22(26)21(25)11-18/h2-9,11,19,23,28H,10,12-14H2,1H3,(H2,27,29)/t19-,23+/m1/s1
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760n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325187
PNG
(4-Methyl-6-(((3S,4S)-4-((3'-(trifluoromethyl)biphe...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C25H26F3N3O/c1-16-9-22(31-24(29)10-16)12-20-13-30-14-23(20)32-15-17-5-7-18(8-6-17)19-3-2-4-21(11-19)25(26,27)28/h2-11,20,23,30H,12-15H2,1H3,(H2,29,31)/t20-,23+/m1/s1
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820n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325186
PNG
(6-(((3S,4S)-4-((3'-Fluorobiphenyl-4-l)methoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C24H26ClN3O/c1-16-9-22(28-24(26)10-16)12-20-13-27-14-23(20)29-15-17-5-7-18(8-6-17)19-3-2-4-21(25)11-19/h2-11,20,23,27H,12-15H2,1H3,(H2,26,28)/t20-,23+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325183
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chloro-3-fluorophenoxy)-...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r|
Show InChI InChI=1S/C22H21ClFN3O2/c23-19-8-7-18(11-20(19)24)28-16-4-2-5-17(10-16)29-21-13-26-12-14(21)9-15-3-1-6-22(25)27-15/h1-8,10-11,14,21,26H,9,12-13H2,(H2,25,27)/t14-,21+/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325180
PNG
(6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 |r|
Show InChI InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325184
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Fluoro-3-methylphenoxy)-...)
Show SMILES Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r|
Show InChI InChI=1S/C23H24FN3O2/c1-15-10-20(8-9-21(15)24)28-18-5-3-6-19(12-18)29-22-14-26-13-16(22)11-17-4-2-7-23(25)27-17/h2-10,12,16,22,26H,11,13-14H2,1H3,(H2,25,27)/t16-,22+/m1/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325181
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Fluorophenoxy)phenoxy)-p...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(F)cc3)c2)n1 |r|
Show InChI InChI=1S/C22H22FN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/m1/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325188
PNG
(6-(((3S,4S)-4-((4'-Fluoro-3'-methylbiphenyl-4-yl)m...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(C)c2)c1 |r|
Show InChI InChI=1S/C25H28FN3O/c1-16-9-22(29-25(27)10-16)12-21-13-28-14-24(21)30-15-18-3-5-19(6-4-18)20-7-8-23(26)17(2)11-20/h3-11,21,24,28H,12-15H2,1-2H3,(H2,27,29)/t21-,24+/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325183
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chloro-3-fluorophenoxy)-...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r|
Show InChI InChI=1S/C22H21ClFN3O2/c23-19-8-7-18(11-20(19)24)28-16-4-2-5-17(10-16)29-21-13-26-12-14(21)9-15-3-1-6-22(25)27-15/h1-8,10-11,14,21,26H,9,12-13H2,(H2,25,27)/t14-,21+/m1/s1
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8.30E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325182
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chlorophenoxy)phnoxy)-py...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1 |r|
Show InChI InChI=1S/C22H22ClN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/m1/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50325179
PNG
(6-(((3R,4R/3S,4S)-4-(Biphenyl-4-yloxy)pyrrolidin-3...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2ccc(cc2)-c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H23N3O/c23-22-8-4-7-19(25-22)13-18-14-24-15-21(18)26-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,18,21,24H,13-15H2,(H2,23,25)/t18-,21+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


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


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325185
PNG
(6-(((3S,4S)-4-((3'-Chlorobiphenyl-4-yl)methoxy)pyr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C24H26FN3O/c1-16-9-22(28-24(26)10-16)12-20-13-27-14-23(20)29-15-17-5-7-18(8-6-17)19-3-2-4-21(25)11-19/h2-11,20,23,27H,12-15H2,1H3,(H2,26,28)/t20-,23+/m1/s1
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1.33E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325189
PNG
(6-(((3S,4S)-4-((3'-Chloro-4'-fluorobiphenyl-4-yl)m...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(Cl)c2)c1 |r|
Show InChI InChI=1S/C24H25ClFN3O/c1-15-8-20(29-24(27)9-15)10-19-12-28-13-23(19)30-14-16-2-4-17(5-3-16)18-6-7-22(26)21(25)11-18/h2-9,11,19,23,28H,10,12-14H2,1H3,(H2,27,29)/t19-,23+/m1/s1
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1.33E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325187
PNG
(4-Methyl-6-(((3S,4S)-4-((3'-(trifluoromethyl)biphe...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C25H26F3N3O/c1-16-9-22(31-24(29)10-16)12-20-13-30-14-23(20)32-15-17-5-7-18(8-6-17)19-3-2-4-21(11-19)25(26,27)28/h2-11,20,23,30H,12-15H2,1H3,(H2,29,31)/t20-,23+/m1/s1
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1.36E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325184
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Fluoro-3-methylphenoxy)-...)
Show SMILES Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r|
Show InChI InChI=1S/C23H24FN3O2/c1-15-10-20(8-9-21(15)24)28-18-5-3-6-19(12-18)29-22-14-26-13-16(22)11-17-4-2-7-23(25)27-17/h2-10,12,16,22,26H,11,13-14H2,1H3,(H2,25,27)/t16-,22+/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325182
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chlorophenoxy)phnoxy)-py...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1 |r|
Show InChI InChI=1S/C22H22ClN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325181
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Fluorophenoxy)phenoxy)-p...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(F)cc3)c2)n1 |r|
Show InChI InChI=1S/C22H22FN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325188
PNG
(6-(((3S,4S)-4-((4'-Fluoro-3'-methylbiphenyl-4-yl)m...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(C)c2)c1 |r|
Show InChI InChI=1S/C25H28FN3O/c1-16-9-22(29-25(27)10-16)12-21-13-28-14-24(21)30-15-18-3-5-19(6-4-18)20-7-8-23(26)17(2)11-20/h3-11,21,24,28H,12-15H2,1-2H3,(H2,27,29)/t21-,24+/m1/s1
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2.21E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325186
PNG
(6-(((3S,4S)-4-((3'-Fluorobiphenyl-4-l)methoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C24H26ClN3O/c1-16-9-22(28-24(26)10-16)12-20-13-27-14-23(20)29-15-17-5-7-18(8-6-17)19-3-2-4-21(25)11-19/h2-11,20,23,27H,12-15H2,1H3,(H2,26,28)/t20-,23+/m1/s1
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2.60E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325187
PNG
(4-Methyl-6-(((3S,4S)-4-((3'-(trifluoromethyl)biphe...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C25H26F3N3O/c1-16-9-22(31-24(29)10-16)12-20-13-30-14-23(20)32-15-17-5-7-18(8-6-17)19-3-2-4-21(11-19)25(26,27)28/h2-11,20,23,30H,12-15H2,1H3,(H2,29,31)/t20-,23+/m1/s1
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3.73E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325185
PNG
(6-(((3S,4S)-4-((3'-Chlorobiphenyl-4-yl)methoxy)pyr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C24H26FN3O/c1-16-9-22(28-24(26)10-16)12-20-13-27-14-23(20)29-15-17-5-7-18(8-6-17)19-3-2-4-21(25)11-19/h2-11,20,23,27H,12-15H2,1H3,(H2,26,28)/t20-,23+/m1/s1
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3.95E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325189
PNG
(6-(((3S,4S)-4-((3'-Chloro-4'-fluorobiphenyl-4-yl)m...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2ccc(F)c(Cl)c2)c1 |r|
Show InChI InChI=1S/C24H25ClFN3O/c1-15-8-20(29-24(27)9-15)10-19-12-28-13-23(19)30-14-16-2-4-17(5-3-16)18-6-7-22(26)21(25)11-18/h2-9,11,19,23,28H,10,12-14H2,1H3,(H2,27,29)/t19-,23+/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325186
PNG
(6-(((3S,4S)-4-((3'-Fluorobiphenyl-4-l)methoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(cc2)-c2cccc(Cl)c2)c1 |r|
Show InChI InChI=1S/C24H26ClN3O/c1-16-9-22(28-24(26)10-16)12-20-13-27-14-23(20)29-15-17-5-7-18(8-6-17)19-3-2-4-21(25)11-19/h2-11,20,23,27H,12-15H2,1H3,(H2,26,28)/t20-,23+/m1/s1
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5.56E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325184
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Fluoro-3-methylphenoxy)-...)
Show SMILES Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F |r|
Show InChI InChI=1S/C23H24FN3O2/c1-15-10-20(8-9-21(15)24)28-18-5-3-6-19(12-18)29-22-14-26-13-16(22)11-17-4-2-7-23(25)27-17/h2-10,12,16,22,26H,11,13-14H2,1H3,(H2,25,27)/t16-,22+/m1/s1
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7.91E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325182
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chlorophenoxy)phnoxy)-py...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1 |r|
Show InChI InChI=1S/C22H22ClN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/m1/s1
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7.95E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325183
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Chloro-3-fluorophenoxy)-...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r|
Show InChI InChI=1S/C22H21ClFN3O2/c23-19-8-7-18(11-20(19)24)28-16-4-2-5-17(10-16)29-21-13-26-12-14(21)9-15-3-1-6-22(25)27-15/h1-8,10-11,14,21,26H,9,12-13H2,(H2,25,27)/t14-,21+/m1/s1
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8.18E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325180
PNG
(6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 |r|
Show InChI InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325179
PNG
(6-(((3R,4R/3S,4S)-4-(Biphenyl-4-yloxy)pyrrolidin-3...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2ccc(cc2)-c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H23N3O/c23-22-8-4-7-19(25-22)13-18-14-24-15-21(18)26-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,18,21,24H,13-15H2,(H2,23,25)/t18-,21+/m1/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))
BDBM50325179
PNG
(6-(((3R,4R/3S,4S)-4-(Biphenyl-4-yloxy)pyrrolidin-3...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2ccc(cc2)-c2ccccc2)n1 |r|
Show InChI InChI=1S/C22H23N3O/c23-22-8-4-7-19(25-22)13-18-14-24-15-21(18)26-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-12,18,21,24H,13-15H2,(H2,23,25)/t18-,21+/m1/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325180
PNG
(6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccccc3)c2)n1 |r|
Show InChI InChI=1S/C22H23N3O2/c23-22-11-4-6-17(25-22)12-16-14-24-15-21(16)27-20-10-5-9-19(13-20)26-18-7-2-1-3-8-18/h1-11,13,16,21,24H,12,14-15H2,(H2,23,25)/t16-,21+/m1/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50325181
PNG
(6-(((3R,4R/3S,4S)-4-(3-(4-Fluorophenoxy)phenoxy)-p...)
Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(F)cc3)c2)n1 |r|
Show InChI InChI=1S/C22H22FN3O2/c23-16-7-9-18(10-8-16)27-19-4-2-5-20(12-19)28-21-14-25-13-15(21)11-17-3-1-6-22(24)26-17/h1-10,12,15,21,25H,11,13-14H2,(H2,24,26)/t15-,21+/m1/s1
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2.21E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay


Bioorg Med Chem 18: 6526-37 (2010)


Article DOI: 10.1016/j.bmc.2010.06.074
BindingDB Entry DOI: 10.7270/Q26110HX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%