Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50226527'   

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 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Binding affinity nNOS				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
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Nitric oxide synthase, brain (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human nNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00578 BindingDB Entry DOI: 10.7270/Q2H9993V
					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	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of rat brain nNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin				Bioorg Med Chem Lett 20: 6495-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.059 BindingDB Entry DOI: 10.7270/Q2GX4BTP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	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 antibodypedia 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 "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition ...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					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