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Compile Data Set for Download or QSAR

Found 2285 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible'   
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, inducible


(Rattus norvegicus)
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12
Show InChI InChI=1/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/s2
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1.80n/an/an/an/an/an/an/an/a



Instituto Cajal (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of rat iNOS


Eur J Med Chem 54: 439-46 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.031
BindingDB Entry DOI: 10.7270/Q2NC6280
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50061231
PNG
(2-Amino-5-(N'-propyl-guanidino)-pentanoic acid | C...)
Show SMILES CCCNC(=N)NCCCC([NH3+])C([O-])=O
Show InChI InChI=1/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)
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1.80n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12
Show InChI InChI=1/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/s2
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1.80n/an/an/an/an/an/an/an/a



Instituto Cajal (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human iNOS


Eur J Med Chem 54: 439-46 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.031
BindingDB Entry DOI: 10.7270/Q2NC6280
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50386178
PNG
(CHEMBL1800346 | ONO-1714)
Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12
Show InChI InChI=1/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5-,6+,7-/s2
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1.86n/an/an/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting


Bioorg Med Chem Lett 21: 4228-32 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.073
BindingDB Entry DOI: 10.7270/Q2H996GJ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50111438
PNG
(3-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methy...)
Show SMILES COC(=O)N1CCN(C(CC(=O)NCc2ccc3OCOc3c2)C1)c1ccnc(n1)-n1ccnc1
Show InChI InChI=1/C23H25N7O5/c1-33-23(32)28-8-9-30(20-4-5-25-22(27-20)29-7-6-24-14-29)17(13-28)11-21(31)26-12-16-2-3-18-19(10-16)35-15-34-18/h2-7,10,14,17H,8-9,11-13,15H2,1H3,(H,26,31)
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2.20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding against the partially purified human Inducible nitric oxide synthase


J Med Chem 45: 1543-58 (2002)


Article DOI: 10.1021/jm010468s
BindingDB Entry DOI: 10.7270/Q2CN74ND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
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=1/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+/s2
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5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50055281
PNG
(2-Ethyl-isothiourea | CHEMBL321691 | ETHYLISOTHIOU...)
Show SMILES CCSC(N)=N
Show InChI InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
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5.20n/an/an/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Binding affinity against mouse Inducible nitric oxide synthase (iNOS)


J Med Chem 39: 5110-8 (1997)


Article DOI: 10.1021/jm960481q
BindingDB Entry DOI: 10.7270/Q29W0DKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
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=1/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+/s2
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7n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50255365
PNG
((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1/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+/s2
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14n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50278675
PNG
((+/-)-cis-6-((4-(2-(3-Fluorophenethylamino)-ethoxy...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1/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+/s2
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15n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330883
PNG
(CHEMBL1233715 | CHEMBL1277952 | N1-((3R,4S)-4-((6-...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1/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-/s2
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19n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50065823
PNG
(CHEMBL555794 | N-(3-Aminomethyl-phenyl)-2-methylsu...)
Show SMILES CSCC(N)=Nc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
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21n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330875
PNG
(CHEMBL1233717 | CHEMBL1278037 | N-{(3S,4R)-4-[(6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1/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-/s2
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48n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330897
PNG
(6-(((3R,4S)-4-(2-(4-fluorobenzylamino)ethoxy)pyrro...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1
Show InChI InChI=1/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-/s2
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63n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM29234
PNG
(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1
Show InChI InChI=1/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/s2
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85n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330873
PNG
(CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccccc2)c1
Show InChI InChI=1/C21H31N5/c1-16-11-19(26-21(22)12-16)13-18-14-24-15-20(18)25-10-9-23-8-7-17-5-3-2-4-6-17/h2-6,11-12,18,20,23-25H,7-10,13-15H2,1H3,(H2,22,26)/t18-,20-/s2
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88n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064015
PNG
(7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...)
Show SMILES CCCC1CCCCC(N)=N1
Show InChI InChI=1/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
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90n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330874
PNG
(CHEMBL1277787 | trans rac-N1-(4-((6-amino-4-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccc(F)cc2)c1
Show InChI InChI=1/C21H30FN5/c1-15-10-19(27-21(23)11-15)12-17-13-25-14-20(17)26-9-8-24-7-6-16-2-4-18(22)5-3-16/h2-5,10-11,17,20,24-26H,6-9,12-14H2,1H3,(H2,23,27)/t17-,20-/s2
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119n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50095172
PNG
(CHEMBL262040 | N-(3-Aminomethyl-phenyl)-thiophene-...)
Show SMILES NCc1cccc(NC(=N)c2cccs2)c1
Show InChI InChI=1S/C12H13N3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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120n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against induced Nitric Oxide Synthase(iNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50065843
PNG
(CHEMBL553081 | CHEMBL555715 | N-(3-Aminomethyl-phe...)
Show SMILES NCc1cccc(c1)N=C(N)c1cccs1
Show InChI InChI=1S/C12H13N3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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120n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50065805
PNG
(CHEMBL544788 | N-(3-Aminomethyl-benzyl)-acetamidin...)
Show SMILES CC(=N)NCc1cccc(CN)c1
Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
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140n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50065807
PNG
(CHEMBL552825 | N-(3-Aminomethyl-phenyl)-furan-2-ca...)
Show SMILES NCc1cccc(c1)N=C(N)c1ccco1
Show InChI InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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160n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50095181
PNG
(CHEMBL96680 | N-(3-Aminomethyl-phenyl)-furan-2-car...)
Show SMILES NCc1cccc(NC(=N)c2ccco2)c1
Show InChI InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)
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160n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against induced Nitric Oxide Synthase(iNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM152698
PNG
((S)-2-Amino-5-formimidamidopentanoic acid (7))
Show SMILES N[C@@H](CCCNC=N)C(O)=O
Show InChI InChI=1/C6H13N3O2/c7-4-9-3-1-2-5(8)6(10)11/h4-5H,1-3,8H2,(H2,7,9)(H,10,11)/t5-/s2
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180n/a 400n/an/an/an/a7.4n/a



Northwestern University



Assay Description
The assay mixture contained L-arginine (10 μM), NADPH (100 μM), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 μM), and differen...


Biochemistry 54: 2530-8 (2015)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q23B5XWQ
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (Human))
BDBM50136951
PNG
((4R,5R)-4-Methyl-5-pentyl-pyrrolidin-(2E)-ylidenea...)
Show SMILES CCCCC[C@H]1N=C(N)C[C@H]1C
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m1/s1
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250n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


J Med Chem 46: 5700-11 (2003)

Checked by Author
Article DOI: 10.1021/jm030301u
BindingDB Entry DOI: 10.7270/Q26D5TQV
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM29235
PNG
(aminopyridine-pyrrolidine, 7)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1
Show InChI InChI=1/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19-/s2
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250n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
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=1/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+/s2
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US Patent
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)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2930WBP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50072297
PNG
((S)-5-Acetimidoylamino-2-amino-pent | (S)-5-Acetim...)
Show SMILES CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/s2
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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
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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375n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...


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, inducible


(Mus musculus (mouse))
BDBM29233
PNG
(CHEMBL508014 | aminopyridine-pyrrolidine, 5)
Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1
Show InChI InChI=1/C12H21N5/c13-4-5-16-11-8-15-7-9(11)6-10-2-1-3-12(14)17-10/h1-3,9,11,15-16H,4-8,13H2,(H2,14,17)/t9-,11+/s2
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388n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330869
PNG
(CHEMBL1277601 | trans rac-N1-(4-((6-amino-4-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1/C20H27Cl2N5/c1-13-6-16(27-20(23)7-13)9-15-11-25-12-19(15)26-5-4-24-10-14-2-3-17(21)18(22)8-14/h2-3,6-8,15,19,24-26H,4-5,9-12H2,1H3,(H2,23,27)/t15-,19-/s2
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414n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50065813
PNG
(CHEMBL555584 | N-(3-Aminomethyl-phenyl)-2-fluoro-a...)
Show SMILES NCc1cccc(c1)N=C(N)CF
Show InChI InChI=1S/C9H12FN3/c10-5-9(12)13-8-3-1-2-7(4-8)6-11/h1-4H,5-6,11H2,(H2,12,13)
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480n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330870
PNG
(CHEMBL1277602 | trans rac-N1-(4-((6-amino-4-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1/C20H27Cl2N5/c1-13-6-17(27-20(23)7-13)8-15-11-25-12-19(15)26-5-4-24-10-14-2-3-16(21)9-18(14)22/h2-3,6-7,9,15,19,24-26H,4-5,8,10-12H2,1H3,(H2,23,27)/t15-,19-/s2
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483n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330895
PNG
(CHEMBL1277327 | trans rac-N1-(4-((6-amino-4-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2)c1
Show InChI InChI=1/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19-/s2
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530n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O
Show InChI InChI=1/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/s2
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570n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
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=1/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+/s2
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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)


Article DOI: 10.1021/jm030131l
BindingDB Entry DOI: 10.7270/Q2930WBP
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330871
PNG
(CHEMBL1277693 | trans rac-(S)-N1-(4-((6-amino-4-me...)
Show SMILES C[C@@H](CN[C@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1
Show InChI InChI=1/C21H30ClN5/c1-14-7-19(27-21(23)8-14)9-17-12-24-13-20(17)26-10-15(2)25-11-16-3-5-18(22)6-4-16/h3-8,15,17,20,24-26H,9-13H2,1-2H3,(H2,23,27)/t15-,17-,20-/s2
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589n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50289681
PNG
(2-Amino-3-[2-(N'-methyl-guanidino)-phenyl]-propion...)
Show SMILES CNC(N)=Nc1ccccc1CC(N)C(O)=O
Show InChI InChI=1/C11H16N4O2/c1-14-11(13)15-9-5-3-2-4-7(9)6-8(12)10(16)17/h2-5,8H,6,12H2,1H3,(H,16,17)(H3,13,14,15)
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant for the inhibition of human Inducible nitric oxide synthase


Bioorg Med Chem Lett 7: 1763-1768 (1997)


Article DOI: 10.1016/S0960-894X(97)00309-0
BindingDB Entry DOI: 10.7270/Q2TQ61J5
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330862
PNG
(CHEMBL1276118 | CHEMBL1276167 | trans rac-N1-(4-((...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCN)c1
Show InChI InChI=1/C13H23N5/c1-9-4-11(18-13(15)5-9)6-10-7-16-8-12(10)17-3-2-14/h4-5,10,12,16-17H,2-3,6-8,14H2,1H3,(H2,15,18)/t10-,12-/s2
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610n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50061232
PNG
(2-Amino-5-(N'-prop-2-ynyl-guanidino)-pentanoic aci...)
Show SMILES [NH3+]C(CCCNC(=N)NCC#C)C([O-])=O
Show InChI InChI=1/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13)
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620n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse


J Med Chem 40: 3869-70 (1998)


Article DOI: 10.1021/jm970550g
BindingDB Entry DOI: 10.7270/Q2C829ZT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330868
PNG
(CHEMBL1277509 | trans rac-N1-(4-((6-amino-4-methyl...)
Show SMILES Cc1cccc(CNCCN[C@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1/C21H31N5/c1-15-4-3-5-17(8-15)12-23-6-7-25-20-14-24-13-18(20)11-19-9-16(2)10-21(22)26-19/h3-5,8-10,18,20,23-25H,6-7,11-14H2,1-2H3,(H2,22,26)/t18-,20-/s2
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660n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O
Show InChI InChI=1/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/s2
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PubMed
670n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
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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682n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage recombinant iNOS expressed in Escherichia coli by UV-vis spectrometric analysis


J Med Chem 54: 2039-48 (2011)


Article DOI: 10.1021/jm101071n
BindingDB Entry DOI: 10.7270/Q2571CB0
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(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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682n/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, inducible


(Mus musculus (mouse))
BDBM50095177
PNG
(CHEMBL503356 | CHEMBL542185 | Pyrazole-1-carboxami...)
Show SMILES NC(=N)n1cccn1
Show InChI InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)
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700n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition against induced Nitric Oxide Synthase(iNOS)


Bioorg Med Chem Lett 10: 2771-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00573-4
BindingDB Entry DOI: 10.7270/Q23B60NS
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330896
PNG
(CHEMBL1277419 | trans rac-N1-(4-((6-amino-4-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1/C21H28F3N5/c1-14-8-18(29-20(25)9-14)10-16-12-27-13-19(16)28-7-6-26-11-15-2-4-17(5-3-15)21(22,23)24/h2-5,8-9,16,19,26-28H,6-7,10-13H2,1H3,(H2,25,29)/t16-,19-/s2
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740n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50330867
PNG
(CHEMBL1277508 | trans rac-N1-(4-((6-amino-4-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1/C21H28F3N5/c1-14-7-18(29-20(25)8-14)10-16-12-27-13-19(16)28-6-5-26-11-15-3-2-4-17(9-15)21(22,23)24/h2-4,7-9,16,19,26-28H,5-6,10-13H2,1H3,(H2,25,29)/t16-,19-/s2
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740n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS


J Med Chem 53: 7804-24 (2010)


Article DOI: 10.1021/jm100947x
BindingDB Entry DOI: 10.7270/Q2NC61FT
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50070042
PNG
(CHEMBL3407810)
Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H
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770n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...


J Med Chem 58: 1067-88 (2015)


Article DOI: 10.1021/jm501719e
BindingDB Entry DOI: 10.7270/Q2CR5W25
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM275051
PNG
(US9878996, Compound 7)
Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
Show InChI InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
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770n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.


US Patent US9878996 (2018)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2PN97PN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/s2
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860n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.


J Med Chem 41: 2858-71 (1998)


Article DOI: 10.1021/jm980072p
BindingDB Entry DOI: 10.7270/Q2862H4X
More data for this
Ligand-Target Pair
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