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PubMed code 19203270

Compile data set for download or QSAR
Found 14 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, inducible


(Homo sapiens (Human))		BDBM50292744
PNG
(1-(Benzylamino)ethaniminium bromide | CHEMBL462334)
Show SMILES C\C(N)=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,10,11)/p+1
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n/an/a 200n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50292749
PNG
(1-[(1-Propionylpiperidin-4-yl)amino]ethaniminium b...)
Show SMILES CCOC(=O)N1CCC(CC1)\[NH+]=C(\C)N
Show InChI InChI=1S/C10H19N3O2/c1-3-15-10(14)13-6-4-9(5-7-13)12-8(2)11/h9H,3-7H2,1-2H3,(H2,11,12)/p+1
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n/an/a 250n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50292746
PNG
((+/-)-N-(1-Phenylpropyl)ethanimidamide hydrobromid...)
Show SMILES CCC(N=C(C)N)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C11H16N2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H2,12,13)
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n/an/a 250n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50226527
PNG
(CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...)
Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3|
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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n/an/a 330n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50292747
PNG
(1-[(3-{[(Pyridin-4-ylmethyl)amino]methyl}benzyl)am...)
Show SMILES C\C(N)=[NH+]\Cc1cccc(CNCc2ccncc2)c1
Show InChI InChI=1S/C16H20N4/c1-13(17)20-12-16-4-2-3-15(9-16)11-19-10-14-5-7-18-8-6-14/h2-9,19H,10-12H2,1H3,(H2,17,20)/p+1
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n/an/a 350n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50292745
PNG
(1-[(1-Phenylethyl)amino]ethaniminium bromide | CHE...)
Show SMILES CC(\[NH+]=C(\C)N)c1ccccc1
Show InChI InChI=1S/C10H14N2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,11,12)/p+1
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n/an/a 450n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50292748
PNG
(1-{[3-({[(4-Methylphenyl)sulfonyl]amino}methyl)ben...)
Show SMILES C\C(N)=[NH+]\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C17H21N3O2S/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18/h3-10,20H,11-12H2,1-2H3,(H2,18,19)/p+1
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n/an/a 500n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50292747
PNG
(1-[(3-{[(Pyridin-4-ylmethyl)amino]methyl}benzyl)am...)
Show SMILES C\C(N)=[NH+]\Cc1cccc(CNCc2ccncc2)c1
Show InChI InChI=1S/C16H20N4/c1-13(17)20-12-16-4-2-3-15(9-16)11-19-10-14-5-7-18-8-6-14/h2-9,19H,10-12H2,1H3,(H2,17,20)/p+1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50292746
PNG
((+/-)-N-(1-Phenylpropyl)ethanimidamide hydrobromid...)
Show SMILES CCC(N=C(C)N)c1ccccc1 |w:3.2|
Show InChI InChI=1S/C11H16N2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H2,12,13)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50292749
PNG
(1-[(1-Propionylpiperidin-4-yl)amino]ethaniminium b...)
Show SMILES CCOC(=O)N1CCC(CC1)\[NH+]=C(\C)N
Show InChI InChI=1S/C10H19N3O2/c1-3-15-10(14)13-6-4-9(5-7-13)12-8(2)11/h9H,3-7H2,1-2H3,(H2,11,12)/p+1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50292745
PNG
(1-[(1-Phenylethyl)amino]ethaniminium bromide | CHE...)
Show SMILES CC(\[NH+]=C(\C)N)c1ccccc1
Show InChI InChI=1S/C10H14N2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,11,12)/p+1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50292748
PNG
(1-{[3-({[(4-Methylphenyl)sulfonyl]amino}methyl)ben...)
Show SMILES C\C(N)=[NH+]\Cc1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C17H21N3O2S/c1-13-6-8-17(9-7-13)23(21,22)20-12-16-5-3-4-15(10-16)11-19-14(2)18/h3-10,20H,11-12H2,1-2H3,(H2,18,19)/p+1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50292744
PNG
(1-(Benzylamino)ethaniminium bromide | CHEMBL462334)
Show SMILES C\C(N)=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,10,11)/p+1
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n/an/a 3.50E+5n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50226527
PNG
(CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...)
Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3|
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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n/an/a 1.10E+6n/an/an/an/an/an/a



Universita G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...

J Med Chem 52: 1481-5 (2010)


Article DOI: 10.1021/jm800846u
BindingDB Entry DOI: 10.7270/Q2445MH9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%