Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50180872'   

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))	BDBM50180872 (CHEMBL3819046 | US10759791, Compound 14a) Show SMILES CN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C15H20N4/c1-11-6-13(18-15(16)7-11)5-4-12-8-14(19(2)3)10-17-9-12/h6-10H,4-5H2,1-3H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...				US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50180872 (CHEMBL3819046 | US10759791, Compound 14a) Show SMILES CN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C15H20N4/c1-11-6-13(18-15(16)7-11)5-4-12-8-14(19(2)3)10-17-9-12/h6-10H,4-5H2,1-3H3,(H2,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 ...				J Med Chem 59: 4913-25 (2016) Article DOI: 10.1021/acs.jmedchem.6b00273 BindingDB Entry DOI: 10.7270/Q2J38VHQ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50180872 (CHEMBL3819046 | US10759791, Compound 14a) Show SMILES CN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C15H20N4/c1-11-6-13(18-15(16)7-11)5-4-12-8-14(19(2)3)10-17-9-12/h6-10H,4-5H2,1-3H3,(H2,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...				US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50180872 (CHEMBL3819046 | US10759791, Compound 14a) Show SMILES CN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C15H20N4/c1-11-6-13(18-15(16)7-11)5-4-12-8-14(19(2)3)10-17-9-12/h6-10H,4-5H2,1-3H3,(H2,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate...				US Patent US10759791 (2020) BindingDB Entry DOI: 10.7270/Q2ZW1PZG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50180872 (CHEMBL3819046 | US10759791, Compound 14a) Show SMILES CN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C15H20N4/c1-11-6-13(18-15(16)7-11)5-4-12-8-14(19(2)3)10-17-9-12/h6-10H,4-5H2,1-3H3,(H2,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of human recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for ...				J Med Chem 59: 4913-25 (2016) Article DOI: 10.1021/acs.jmedchem.6b00273 BindingDB Entry DOI: 10.7270/Q2J38VHQ
					More data for this Ligand-Target Pair