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PubMed code 26101565

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


(Mus musculus (mouse))		BDBM50095303
PNG
(CHEMBL3589092)
Show SMILES CC(=N)NCc1cccc(CNCc2ccccc2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H20N4O2/c1-13(18)20-11-15-6-4-5-14(9-15)10-19-12-16-7-2-3-8-17(16)21(22)23/h2-9,19H,10-12H2,1H3,(H2,18,20)
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n/an/a 100n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		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 100n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50095302
PNG
(CHEMBL3589091)
Show SMILES CC(=N)NCc1cccc(CNC(=O)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C18H19N3O3/c1-12(19)20-10-13-3-2-4-14(9-13)11-21-17(22)15-5-7-16(8-6-15)18(23)24/h2-9H,10-11H2,1H3,(H2,19,20)(H,21,22)(H,23,24)
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n/an/a 165n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50095298
PNG
(CHEMBL3589087)
Show SMILES CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C19H16Cl2N4O2/c1-27-11-4-5-12-13(7-11)19(25-6-2-3-18(25)26)24-23-17(12)8-14-15(20)9-22-10-16(14)21/h4-5,7,9-10H,2-3,6,8H2,1H3
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n/an/a 428n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50095304
PNG
(CHEMBL3589093)
Show SMILES CC(=N)NCc1cccc(CN(Cc2ccc(cc2)[N+]([O-])=O)Cc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H25N5O4/c1-18(25)26-14-21-3-2-4-22(13-21)17-27(15-19-5-9-23(10-6-19)28(30)31)16-20-7-11-24(12-8-20)29(32)33/h2-13H,14-17H2,1H3,(H2,25,26)
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n/an/a 500n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50095299
PNG
(CHEMBL3589088)
Show SMILES CC(=N)NCc1cccc(CNC(=O)CN)c1
Show InChI InChI=1S/C25H23Cl2N3O/c1-31-18-11-12-19-20(13-18)24(10-6-5-9-17-7-3-2-4-8-17)29-30-25(19)14-21-22(26)15-28-16-23(21)27/h2-4,7-8,11-13,15-16H,5-6,9-10,14H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50095301
PNG
(CHEMBL3589090)
Show SMILES CC(=N)NCc1cccc(CNC(=O)CCCN)c1
Show InChI InChI=1S/C14H22N4O/c1-11(16)17-9-12-4-2-5-13(8-12)10-18-14(19)6-3-7-15/h2,4-5,8H,3,6-7,9-10,15H2,1H3,(H2,16,17)(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50095300
PNG
(CHEMBL3589089)
Show SMILES CC(=N)NCc1cccc(CNC(=O)CCN)c1
Show InChI InChI=1S/C13H20N4O/c1-10(15)16-8-11-3-2-4-12(7-11)9-17-13(18)5-6-14/h2-4,7H,5-6,8-9,14H2,1H3,(H2,15,16)(H,17,18)
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University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50095297
PNG
(CHEMBL3589086)
Show SMILES CC(=N)NCc1cccc(CNC(=O)CC(O)=O)c1
Show InChI InChI=1S/C21H15Cl2N3O2/c1-27-14-7-8-15-16(9-14)21(28-13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50095303
PNG
(CHEMBL3589092)
Show SMILES CC(=N)NCc1cccc(CNCc2ccccc2[N+]([O-])=O)c1
Show InChI InChI=1S/C17H20N4O2/c1-13(18)20-11-15-6-4-5-14(9-15)10-19-12-16-7-2-3-8-17(16)21(22)23/h2-9,19H,10-12H2,1H3,(H2,18,20)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50095302
PNG
(CHEMBL3589091)
Show SMILES CC(=N)NCc1cccc(CNC(=O)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C18H19N3O3/c1-12(19)20-10-13-3-2-4-14(9-13)11-21-17(22)15-5-7-16(8-6-15)18(23)24/h2-9H,10-11H2,1H3,(H2,19,20)(H,21,22)(H,23,24)
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n/an/a 9.08E+4n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50095304
PNG
(CHEMBL3589093)
Show SMILES CC(=N)NCc1cccc(CN(Cc2ccc(cc2)[N+]([O-])=O)Cc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H25N5O4/c1-18(25)26-14-21-3-2-4-22(13-21)17-27(15-19-5-9-23(10-6-19)28(30)31)16-20-7-11-24(12-8-20)29(32)33/h2-13H,14-17H2,1H3,(H2,25,26)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		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 3.50E+5n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50095298
PNG
(CHEMBL3589087)
Show SMILES CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C19H16Cl2N4O2/c1-27-11-4-5-12-13(7-11)19(25-6-2-3-18(25)26)24-23-17(12)8-14-15(20)9-22-10-16(14)21/h4-5,7,9-10H,2-3,6,8H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Chieti"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...

ACS Med Chem Lett 6: 635-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00149
BindingDB Entry DOI: 10.7270/Q2C53NKC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%