Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'montagnani' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50401339 (CHEMBL4161447) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C15H22N4O.2ClH/c1-11(16)18-9-12-4-2-5-13(8-12)10-19-15(20)14-6-3-7-17-14;;/h2,4-5,8,14,17H,3,6-7,9-10H2,1H3,(H2,16,18)(H,19,20);2*1H/t14-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50226527 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50095303 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50095302 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50403157 (CHEMBL4171271) Show SMILES Cl.Cl.CC[C@H](C)[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C17H28O7P2/c1-13(2)6-5-7-14(3)8-16-9-15(4)17(24-16)10-23-11-25(18,19)12-26(20,21)22/h6,8-9H,5,7,10-12H2,1-4H3,(H,18,19)(H2,20,21,22)/b14-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403472 (CHEMBL4169004) Show SMILES Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C31H43N5O5/c1-18(2)9-25(35-30(41)36-31-14-19-10-20(15-31)12-21(11-19)16-31)29(40)34-26(28(39)32-8-7-27(37)38)13-22-17-33-24-6-4-3-5-23(22)24/h3-6,17-21,25-26,33H,7-16H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)(H2,35,36,41)/t19?,20?,21?,25-,26+,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403162 (CHEMBL4160671) Show SMILES Cl.Cl.C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C16H30O6P2/c1-15(2)9-8-11-16(3)10-6-4-5-7-12-22-13-23(17,18)14-24(19,20)21/h5,7,9-10H,4,6,8,11-14H2,1-3H3,(H,17,18)(H2,19,20,21)/b7-5+,16-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50095298 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50403160 (CHEMBL4169649) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCCN)c1 |r| Show InChI InChI=1S/C18H28O6P2/c1-15(2)6-4-7-16(3)10-17-8-5-9-18(11-17)12-24-13-25(19,20)14-26(21,22)23/h5-6,8-11H,4,7,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403161 (CHEMBL4177347) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCNC(N)=N)c1 |r| Show InChI InChI=1S/C16H26O6P2S/c1-13(2)5-4-6-14(3)9-15-7-8-16(25-15)10-22-11-23(17,18)12-24(19,20)21/h5,7-9H,4,6,10-12H2,1-3H3,(H,17,18)(H2,19,20,21)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50095304 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50403159 (CHEMBL4173076) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)c1 |r| Show InChI InChI=1S/C17H28O6P2S/c1-13(2)6-5-7-14(3)8-16-9-15(4)17(26-16)10-23-11-24(18,19)12-25(20,21)22/h6,8-9H,5,7,10-12H2,1-4H3,(H,18,19)(H2,20,21,22)/b14-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	534	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403156 (CHEMBL4176848) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CC(O)=O)c1 |r| Show InChI InChI=1S/C19H30O6P2/c1-15(2)6-5-7-16(3)10-18-8-9-19(17(4)11-18)12-25-13-26(20,21)14-27(22,23)24/h6,8-11H,5,7,12-14H2,1-4H3,(H,20,21)(H2,22,23,24)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403464 (CHEMBL4166234) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCC(O)=O)c1 |r| Show InChI InChI=1S/C25H35N5O5/c1-16(2)13-20(29-25(35)30-11-5-6-12-30)24(34)28-21(23(33)26-10-9-22(31)32)14-17-15-27-19-8-4-3-7-18(17)19/h3-4,7-8,15-16,20-21,27H,5-6,9-14H2,1-2H3,(H,26,33)(H,28,34)(H,29,35)(H,31,32)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50226527 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in pr...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50403464 (CHEMBL4166234) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCC(O)=O)c1 |r| Show InChI InChI=1S/C25H35N5O5/c1-16(2)13-20(29-25(35)30-11-5-6-12-30)24(34)28-21(23(33)26-10-9-22(31)32)14-17-15-27-19-8-4-3-7-18(17)19/h3-4,7-8,15-16,20-21,27H,5-6,9-14H2,1-2H3,(H,26,33)(H,28,34)(H,29,35)(H,31,32)/t20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403158 (CHEMBL4163633) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2ccc(O)cc2)c1 |r| Show InChI InChI=1S/C18H28O6P2/c1-15(2)5-4-6-16(3)11-17-7-9-18(10-8-17)12-24-13-25(19,20)14-26(21,22)23/h5,7-11H,4,6,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50095299 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50400786 (CHEMBL4171037) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCC(N)=O)c1 |r| Show InChI InChI=1S/C15H23N5O2.2ClH/c1-10(16)19-8-11-3-2-4-12(7-11)9-20-15(22)13(17)5-6-14(18)21;;/h2-4,7,13H,5-6,8-9,17H2,1H3,(H2,16,19)(H2,18,21)(H,20,22);2*1H/t13-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50401339 (CHEMBL4161447) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C15H22N4O.2ClH/c1-11(16)18-9-12-4-2-5-13(8-12)10-19-15(20)14-6-3-7-17-14;;/h2,4-5,8,14,17H,3,6-7,9-10H2,1H3,(H2,16,18)(H,19,20);2*1H/t14-;;/m0../s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in pr...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50095301 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50403471 (CHEMBL4161080) Show SMILES Cl.Cl.CC(C)[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C27H41N5O6/c1-17(2)14-21(31-26(38)32(12-13-33)27(3,4)5)25(37)30-22(24(36)28-11-10-23(34)35)15-18-16-29-20-9-7-6-8-19(18)20/h6-9,16-17,21-22,29,33H,10-15H2,1-5H3,(H,28,36)(H,30,37)(H,31,38)(H,34,35)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403467 (CHEMBL4162963) Show SMILES Cl.Cl.C[C@@H](O)[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C26H39N5O5/c1-16(2)12-20(31-25(36)29-15-26(3,4)5)24(35)30-21(23(34)27-11-10-22(32)33)13-17-14-28-19-9-7-6-8-18(17)19/h6-9,14,16,20-21,28H,10-13,15H2,1-5H3,(H,27,34)(H,30,35)(H,32,33)(H2,29,31,36)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403466 (CHEMBL4160751) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CC(N)=O)c1 |r| Show InChI InChI=1S/C27H41N5O5/c1-16(2)13-22(31-27(37)32(17(3)4)18(5)6)26(36)30-23(25(35)28-12-11-24(33)34)14-19-15-29-21-10-8-7-9-20(19)21/h7-10,15-18,22-23,29H,11-14H2,1-6H3,(H,28,35)(H,30,36)(H,31,37)(H,33,34)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403465 (CHEMBL4161718) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C30H45N5O5/c1-19(2)16-23(34-28(40)35-29(3,4)13-9-14-30(35,5)6)27(39)33-24(26(38)31-15-12-25(36)37)17-20-18-32-22-11-8-7-10-21(20)22/h7-8,10-11,18-19,23-24,32H,9,12-17H2,1-6H3,(H,31,38)(H,33,39)(H,34,40)(H,36,37)/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403470 (CHEMBL4172371) Show SMILES Cl.Cl.CSCC[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C26H37N5O5/c1-17(2)14-21(30-26(36)31-12-6-3-7-13-31)25(35)29-22(24(34)27-11-10-23(32)33)15-18-16-28-20-9-5-4-8-19(18)20/h4-5,8-9,16-17,21-22,28H,3,6-7,10-15H2,1-2H3,(H,27,34)(H,29,35)(H,30,36)(H,32,33)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403469 (CHEMBL4164493) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CS)c1 |r| Show InChI InChI=1S/C30H37N5O5/c1-19(2)15-25(34-30(40)35-14-12-20-7-3-4-8-21(20)18-35)29(39)33-26(28(38)31-13-11-27(36)37)16-22-17-32-24-10-6-5-9-23(22)24/h3-10,17,19,25-26,32H,11-16,18H2,1-2H3,(H,31,38)(H,33,39)(H,34,40)(H,36,37)/t25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403468 (CHEMBL4170892) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CO)c1 |r| Show InChI InChI=1S/C30H45N5O5/c1-21(2)18-25(34-30(40)35-16-10-6-4-3-5-7-11-17-35)29(39)33-26(28(38)31-15-14-27(36)37)19-22-20-32-24-13-9-8-12-23(22)24/h8-9,12-13,20-21,25-26,32H,3-7,10-11,14-19H2,1-2H3,(H,31,38)(H,33,39)(H,34,40)(H,36,37)/t25-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50095297 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50403463 (CHEMBL4171523) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C27H39N5O5/c1-18(2)15-22(31-27(37)32-13-7-3-4-8-14-32)26(36)30-23(25(35)28-12-11-24(33)34)16-19-17-29-21-10-6-5-9-20(19)21/h5-6,9-10,17-18,22-23,29H,3-4,7-8,11-16H2,1-2H3,(H,28,35)(H,30,36)(H,31,37)(H,33,34)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50095303 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.08E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50403160 (CHEMBL4169649) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCCN)c1 |r| Show InChI InChI=1S/C18H28O6P2/c1-15(2)6-4-7-16(3)10-17-8-5-9-18(11-17)12-24-13-25(19,20)14-26(21,22)23/h5-6,8-11H,4,7,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50401339 (CHEMBL4161447) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C15H22N4O.2ClH/c1-11(16)18-9-12-4-2-5-13(8-12)10-19-15(20)14-6-3-7-17-14;;/h2,4-5,8,14,17H,3,6-7,9-10H2,1H3,(H2,16,18)(H,19,20);2*1H/t14-;;/m0../s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50403472 (CHEMBL4169004) Show SMILES Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C31H43N5O5/c1-18(2)9-25(35-30(41)36-31-14-19-10-20(15-31)12-21(11-19)16-31)29(40)34-26(28(39)32-8-7-27(37)38)13-22-17-33-24-6-4-3-5-23(22)24/h3-6,17-21,25-26,33H,7-16H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)(H2,35,36,41)/t19?,20?,21?,25-,26+,31?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50403156 (CHEMBL4176848) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CC(O)=O)c1 |r| Show InChI InChI=1S/C19H30O6P2/c1-15(2)6-5-7-16(3)10-18-8-9-19(17(4)11-18)12-25-13-26(20,21)14-27(22,23)24/h6,8-11H,5,7,12-14H2,1-4H3,(H,20,21)(H2,22,23,24)/b16-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50226527 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50403157 (CHEMBL4171271) Show SMILES Cl.Cl.CC[C@H](C)[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C17H28O7P2/c1-13(2)6-5-7-14(3)8-16-9-15(4)17(24-16)10-23-11-25(18,19)12-26(20,21)22/h6,8-9H,5,7,10-12H2,1-4H3,(H,18,19)(H2,20,21,22)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50403162 (CHEMBL4160671) Show SMILES Cl.Cl.C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C16H30O6P2/c1-15(2)9-8-11-16(3)10-6-4-5-7-12-22-13-23(17,18)14-24(19,20)21/h5,7,9-10H,4,6,8,11-14H2,1-3H3,(H,17,18)(H2,19,20,21)/b7-5+,16-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50095298 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50403161 (CHEMBL4177347) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCNC(N)=N)c1 |r| Show InChI InChI=1S/C16H26O6P2S/c1-13(2)5-4-6-14(3)9-15-7-8-16(25-15)10-22-11-23(17,18)12-24(19,20)21/h5,7-9H,4,6,10-12H2,1-3H3,(H,17,18)(H2,19,20,21)/b14-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50403159 (CHEMBL4173076) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)c1 |r| Show InChI InChI=1S/C17H28O6P2S/c1-13(2)6-5-7-14(3)8-16-9-15(4)17(26-16)10-23-11-24(18,19)12-25(20,21)22/h6,8-9H,5,7,10-12H2,1-4H3,(H,18,19)(H2,20,21,22)/b14-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair