Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with all data for entry = 50010885
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50543107(CHEMBL4633346)
Show SMILES Br.CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O.BrH/c1-10(17)18-13-6-2-11(3-7-13)15(20)19-14-8-4-12(16)5-9-14;/h2-9H,1H3,(H2,17,18)(H,19,20);1H
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50226527(CHEMBL107251 | 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)
Affinity DataIC50: 80nMAssay Description:Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50095298(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
Affinity DataIC50: 428nMAssay Description:Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50543108(CHEMBL4635568)
Show SMILES CC(N)C(=O)Cc1cn[nH]c1
Affinity DataIC50: 681nMAssay Description:Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNitric oxide synthase, brain(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50543107(CHEMBL4633346)
Show SMILES Br.CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O.BrH/c1-10(17)18-13-6-2-11(3-7-13)15(20)19-14-8-4-12(16)5-9-14;/h2-9H,1H3,(H2,17,18)(H,19,20);1H
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNitric oxide synthase, brain(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50226527(CHEMBL107251 | 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)
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition ...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50543107(CHEMBL4633346)
Show SMILES Br.CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O.BrH/c1-10(17)18-13-6-2-11(3-7-13)15(20)19-14-8-4-12(16)5-9-14;/h2-9H,1H3,(H2,17,18)(H,19,20);1H
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human eNOS using L-argininge as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
University "G. d'Annunzio" of Chieti-Pescara

Curated by ChEMBL
LigandPNGBDBM50226527(CHEMBL107251 | 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)
Affinity DataIC50: 3.04E+5nMAssay Description:Inhibition of human eNOS using L-argininge as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC rea...More data for this Ligand-Target Pair