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Compile Data Set for Download or QSAR

Found 1191 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, inducible' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(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=1S/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-/m0/s1
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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


Citation and Details
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=1S/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-/m0/s1
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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


Citation and Details
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=1S/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 Global Research and Development

Curated by ChEMBL


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


J Med Chem 45: 1543-58 (2002)

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


Citation and Details
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=1S/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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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


Citation and Details
Checked by Author
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=1S/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-/m0/s1
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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


Citation and Details
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.


Citation and Details
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=1S/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


Citation and Details
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=1S/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-/m0/s1
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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.


Citation and Details
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=1S/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-/m0/s1
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860n/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


Citation and Details
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=1S/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-/m0/s1
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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.


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


(Homo sapiens (human))
BDBM50058459
PNG
(2-Ethyl-1-phenyl-isothiourea; hydriodide | CHEMBL4...)
Show SMILES CCSC(N)=Nc1ccccc1
Show InChI InChI=1S/C9H12N2S/c1-2-12-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
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870n/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).


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


(Homo sapiens (human))
BDBM50058448
PNG
(2-Ethyl-1-(2-methoxy-phenyl)-isothiourea; hydrochl...)
Show SMILES CCSC(N)=Nc1ccccc1OC
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-6-4-5-7-9(8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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1.40E+3n/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).


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


(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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1.45E+3n/an/an/an/an/an/an/an/a



University of California, Irvine



Assay Description
Inhibition assay using nitric oxide synthases.


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


(Homo sapiens (human))
BDBM50065842
PNG
(CHEMBL540048 | N-(4-{[3-(1-Imino-ethyl)-benzylamin...)
Show SMILES CC(N)=Nc1ccc(CNCc2cccc(c2)C(C)=N)cc1
Show InChI InChI=1S/C18H22N4/c1-13(19)17-5-3-4-16(10-17)12-21-11-15-6-8-18(9-7-15)22-14(2)20/h3-10,19,21H,11-12H2,1-2H3,(H2,20,22)
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1.60E+3n/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.


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


(Homo sapiens (human))
BDBM50058443
PNG
(2-Ethyl-1-p-tolyl-isothiourea; hydrochloride | CHE...)
Show SMILES CCSC(N)=Nc1ccc(C)cc1
Show InChI InChI=1S/C10H14N2S/c1-3-13-10(11)12-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12)
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1.90E+3n/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).


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


(Homo sapiens (human))
BDBM50289677
PNG
(3-(2-Acetimidoylamino-phenyl)-2-amino-propionic ac...)
Show SMILES CC(N)=Nc1ccccc1CC(N)C(O)=O
Show InChI InChI=1S/C11H15N3O2/c1-7(12)14-10-5-3-2-4-8(10)6-9(13)11(15)16/h2-5,9H,6,13H2,1H3,(H2,12,14)(H,15,16)
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1.90E+3n/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


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


(Homo sapiens (human))
BDBM50341681
PNG
(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Show SMILES Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1
Show InChI InChI=1S/C21H25N5/c1-14-7-19(26-20(22)8-14)6-5-18-10-17(12-24-13-18)4-3-16-9-15(2)25-21(23)11-16/h7-13H,3-6H2,1-2H3,(H2,22,26)(H2,23,25)
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1.91E+3n/an/an/an/an/an/an/an/a



University of California, Irvine



Assay Description
Inhibition assay using nitric oxide synthases.


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


(Homo sapiens (human))
BDBM50065833
PNG
(CHEMBL542432 | N-(4-Aminomethyl-phenyl)-acetamidin...)
Show SMILES CC(N)=Nc1ccc(CN)cc1
Show InChI InChI=1S/C9H13N3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3,(H2,11,12)
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2.00E+3n/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.


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


(Homo sapiens (human))
BDBM50065841
PNG
(CHEMBL545025 | N-[4-(Acetimidoylamino-methyl)-phen...)
Show SMILES CC(=N)NCc1ccc(cc1)N=C(C)N
Show InChI InChI=1S/C11H16N4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6H,7H2,1-2H3,(H2,12,14)(H2,13,15)
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2.00E+3n/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.


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


(Homo sapiens (human))
BDBM50374677
PNG
(CHEMBL405231)
Show SMILES NNC(=N)NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H15N5O2/c7-4(5(12)13)2-1-3-10-6(8)11-9/h4H,1-3,7,9H2,(H,12,13)(H3,8,10,11)/t4-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of full length iNOS by high-throughput oxymyoglobin assay


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


(Homo sapiens (human))
BDBM50058455
PNG
(1-(3-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1cccc(Cl)c1
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H2,11,12)
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2.40E+3n/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).


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


(Homo sapiens (human))
BDBM50065828
PNG
(CHEMBL542678 | N-(3-Aminomethyl-phenyl)-acetamidin...)
Show SMILES CC(N)=Nc1cccc(CN)c1
Show InChI InChI=1S/C9H13N3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H2,11,12)
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2.50E+3n/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.


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


(Homo sapiens (human))
BDBM50065848
PNG
(CHEMBL539793 | N-(4-Methylaminomethyl-phenyl)-acet...)
Show SMILES CNCc1ccc(cc1)N=C(C)N
Show InChI InChI=1S/C10H15N3/c1-8(11)13-10-5-3-9(4-6-10)7-12-2/h3-6,12H,7H2,1-2H3,(H2,11,13)
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2.50E+3n/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.


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


(Homo sapiens (human))
BDBM50058444
PNG
(2-Ethyl-1-(4-hydroxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(O)cc1
Show InChI InChI=1S/C9H12N2OS/c1-2-13-9(10)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H2,10,11)
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2.50E+3n/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).


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


(Homo sapiens (human))
BDBM50289680
PNG
(2-Amino-3-(2-guanidino-phenyl)-propionic acid | CH...)
Show SMILES NC(Cc1ccccc1N=C(N)N)C(O)=O
Show InChI InChI=1S/C10H14N4O2/c11-7(9(15)16)5-6-3-1-2-4-8(6)14-10(12)13/h1-4,7H,5,11H2,(H,15,16)(H4,12,13,14)
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2.60E+3n/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


Citation and Details
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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2.73E+3n/an/an/an/an/an/an/an/a



University of California, Irvine



Assay Description
Inhibition assay using nitric oxide synthases.


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


(Homo sapiens (human))
BDBM50058441
PNG
(1-(2-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccccc1Cl
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
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2.90E+3n/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).


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


(Homo sapiens (human))
BDBM50058445
PNG
(2-Ethyl-1-(4-phenoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2OS/c1-2-19-15(16)17-12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,16,17)
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3.10E+3n/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).


Citation and Details
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse)-Homo sapiens (human))
BDBM50127041
PNG
(CHEMBL297372 | N-((4S)-4-amino-5-{[2-(2-aminoethyl...)
Show SMILES NCCc1ccccc1NC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1
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3.15E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against Inducible nitric oxide synthase


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50058442
PNG
(2-Ethyl-1-(3-methoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1cccc(OC)c1
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3,(H2,11,12)
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3.20E+3n/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).


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


(Homo sapiens (human))
BDBM50058470
PNG
(2-Ethyl-1-(3-trifluoromethyl-phenyl)-isothiourea; ...)
Show SMILES CCSC(N)=Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C10H11F3N2S/c1-2-16-9(14)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15)
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3.20E+3n/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).


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


(Homo sapiens (human))
BDBM50341678
PNG
(6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...)
Show SMILES Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1
Show InChI InChI=1S/C22H27N5/c1-14-7-19(26-21(24)9-14)5-3-16-11-17(13-18(23)12-16)4-6-20-8-15(2)10-22(25)27-20/h7-13H,3-6,23H2,1-2H3,(H2,24,26)(H2,25,27)
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3.40E+3n/an/an/an/an/an/an/an/a



University of California, Irvine



Assay Description
Inhibition assay using nitric oxide synthases.


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


(Homo sapiens (human))
BDBM50065817
PNG
(2-Amino-N-(3-aminomethyl-phenyl)-acetamidine | CHE...)
Show SMILES NCC(N)=Nc1cccc(CN)c1
Show InChI InChI=1S/C9H14N4/c10-5-7-2-1-3-8(4-7)13-9(12)6-11/h1-4H,5-6,10-11H2,(H2,12,13)
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3.40E+3n/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.


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


(Homo sapiens (human))
BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of iNOS


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


(Homo sapiens (human))
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=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of iNOS


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


(Homo sapiens (human))
BDBM50065809
PNG
(CHEMBL544317 | N-(4-Carbamimidoylsulfanylmethyl-ph...)
Show SMILES CC(N)=Nc1ccc(CSC(N)=N)cc1
Show InChI InChI=1S/C10H14N4S/c1-7(11)14-9-4-2-8(3-5-9)6-15-10(12)13/h2-5H,6H2,1H3,(H2,11,14)(H3,12,13)
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4.00E+3n/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.


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


(Homo sapiens (human))
BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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US Patent
4.06E+3n/an/an/an/an/an/an/an/a



Northwestern University; The Regents of the University of California

US Patent


Assay Description
Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...


US Patent US9090589 (2015)

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


(Homo sapiens (human))
BDBM50058469
PNG
(1-(4-Chloro-phenyl)-2-ethyl-isothiourea; hydrochlo...)
Show SMILES CCSC(N)=Nc1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2S/c1-2-13-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12)
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4.20E+3n/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).


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


(Homo sapiens (human))
BDBM50065826
PNG
(CHEMBL543142 | N-(4-Hydrazino-phenyl)-acetamidine)
Show SMILES CC(N)=Nc1ccc(NN)cc1
Show InChI InChI=1S/C8H12N4/c1-6(9)11-7-2-4-8(12-10)5-3-7/h2-5,12H,10H2,1H3,(H2,9,11)
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4.60E+3n/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.


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


(Homo sapiens (human))
BDBM50058440
PNG
(1-(2-Bromo-phenyl)-2-ethyl-isothiourea; hydriodide...)
Show SMILES CCSC(N)=Nc1ccccc1Br
Show InChI InChI=1S/C9H11BrN2S/c1-2-13-9(11)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12)
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4.70E+3n/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).


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


(Homo sapiens (human))
BDBM50341680
PNG
(6,6'-(2,2'-(Pyridine-2,6-diyl)bis(ethane-2,1-diyl)...)
Show SMILES Cc1cc(N)nc(CCc2cccc(CCc3cc(C)cc(N)n3)n2)c1
Show InChI InChI=1S/C21H25N5/c1-14-10-18(25-20(22)12-14)8-6-16-4-3-5-17(24-16)7-9-19-11-15(2)13-21(23)26-19/h3-5,10-13H,6-9H2,1-2H3,(H2,22,25)(H2,23,26)
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PubMed
4.75E+3n/an/an/an/an/an/an/an/a



University of California, Irvine



Assay Description
Inhibition assay using nitric oxide synthases.


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


(Homo sapiens (human))
BDBM50058447
PNG
(2-Ethyl-1-(4-methoxy-phenyl)-isothiourea; hydriodi...)
Show SMILES CCSC(N)=Nc1ccc(OC)cc1
Show InChI InChI=1S/C10H14N2OS/c1-3-14-10(11)12-8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3,(H2,11,12)
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4.90E+3n/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).


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


(Homo sapiens (human))
BDBM50255363
PNG
(CHEMBL517995 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccccc2)c1
Show InChI InChI=1S/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+/m0/s1
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US Patent
5.40E+3n/an/an/an/an/an/an/an/a



Northwestern University; The Regents of the University of California

US Patent


Assay Description
Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...


US Patent US9090589 (2015)

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


(Homo sapiens (human))
BDBM50255194
PNG
(CHEMBL481465 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...)
Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCN)c1
Show InChI InChI=1S/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+/m0/s1
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US Patent
5.84E+3n/an/an/an/an/an/an/an/a



Northwestern University; The Regents of the University of California

US Patent


Assay Description
Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...


US Patent US9090589 (2015)

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


(Homo sapiens (human))
BDBM50065818
PNG
(CHEMBL554201 | N-(4-Dimethylaminomethyl-phenyl)-ac...)
Show SMILES CN(C)Cc1ccc(cc1)N=C(C)N
Show InChI InChI=1S/C11H17N3/c1-9(12)13-11-6-4-10(5-7-11)8-14(2)3/h4-7H,8H2,1-3H3,(H2,12,13)
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PubMed
6.10E+3n/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.


Citation and Details
More data for this
Ligand-Target Pair
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