Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50007613   

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, brain (Rattus norvegicus (rat))	BDBM50225106 ((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...) Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50230993 ((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...) Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065375 ((S)-2-Amino-5-(2,6-dinitro-phenylamino)-pentanoic ...) Show SMILES N[C@@H](CCCNc1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C11H14N4O6/c12-7(11(16)17)3-2-6-13-10-8(14(18)19)4-1-5-9(10)15(20)21/h1,4-5,7,13H,2-3,6,12H2,(H,16,17)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065372 (5-Methyl-2-nitro-phenylamine | CHEMBL278016 | EN30...) Show SMILES Cc1ccc(c(N)c1)[N+]([O-])=O Show InChI InChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065376 (4-((S)-4-Amino-4-carboxy-butylamino)-3-nitro-benzo...) Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O)C(O)=O Show InChI InChI=1S/C12H15N3O6/c13-8(12(18)19)2-1-5-14-9-4-3-7(11(16)17)6-10(9)15(20)21/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)(H,18,19)/t8-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065367 ((S)-2-Amino-5-(2-nitro-phenylamino)-pentanoic acid...) Show SMILES N[C@@H](CCCNc1ccccc1[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C11H15N3O4/c12-8(11(15)16)4-3-7-13-9-5-1-2-6-10(9)14(17)18/h1-2,5-6,8,13H,3-4,7,12H2,(H,15,16)/t8-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065358 ((S)-2-Amino-5-(4-fluoro-2-nitro-phenylamino)-penta...) Show SMILES N[C@@H](CCCNc1ccc(F)cc1[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C11H14FN3O4/c12-7-3-4-9(10(6-7)15(18)19)14-5-1-2-8(13)11(16)17/h3-4,6,8,14H,1-2,5,13H2,(H,16,17)/t8-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065368 ((S)-2-Amino-5-(2-nitro-4-trifluoromethyl-phenylami...) Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(O)=O Show InChI InChI=1S/C12H14F3N3O4/c13-12(14,15)7-3-4-9(10(6-7)18(21)22)17-5-1-2-8(16)11(19)20/h3-4,6,8,17H,1-2,5,16H2,(H,19,20)/t8-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065370 ((S)-2-Amino-5-(2,4-dinitro-phenylamino)-pentanoic ...) Show SMILES N[C@@H](CCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O Show InChI InChI=1S/C11H14N4O6/c12-8(11(16)17)2-1-5-13-9-4-3-7(14(18)19)6-10(9)15(20)21/h3-4,6,8,13H,1-2,5,12H2,(H,16,17)/t8-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065373 ((S)-2-Amino-5-(4-methyl-2-nitro-phenylamino)-penta...) Show SMILES Cc1ccc(NCCC[C@H](N)C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C12H17N3O4/c1-8-4-5-10(11(7-8)15(18)19)14-6-2-3-9(13)12(16)17/h4-5,7,9,14H,2-3,6,13H2,1H3,(H,16,17)/t9-/m0/s1	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay				J Med Chem 41: 2636-42 (1998) Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7
					More data for this Ligand-Target Pair