Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, endothelial' and Ligand = 'BDBM50180871'   

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, endothelial (Rattus norvegicus)	BDBM50180871 (CHEMBL3819644 | US10759791, Compound 14c) Show SMILES Cc1cc(N)nc(CCc2cncc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C17H22N4O/c1-13-8-15(20-17(18)9-13)3-2-14-10-16(12-19-11-14)21-4-6-22-7-5-21/h8-12H,2-7H2,1H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	547	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, endothelial (Homo sapiens (Human))	BDBM50180871 (CHEMBL3819644 | US10759791, Compound 14c) Show SMILES Cc1cc(N)nc(CCc2cncc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C17H22N4O/c1-13-8-15(20-17(18)9-13)3-2-14-10-16(12-19-11-14)21-4-6-22-7-5-21/h8-12H,2-7H2,1H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	4.26E+4	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, endothelial (Homo sapiens (Human))	BDBM50180871 (CHEMBL3819644 | US10759791, Compound 14c) Show SMILES Cc1cc(N)nc(CCc2cncc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C17H22N4O/c1-13-8-15(20-17(18)9-13)3-2-14-10-16(12-19-11-14)21-4-6-22-7-5-21/h8-12H,2-7H2,1H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.26E+4	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 eNOS 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