Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, endothelial' and Ligand = 'BDBM50366041'   

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 (Bos taurus (bovine))	BDBM50366041 (CHEMBL1956738 | US8927730, 3a) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1 |r| Show InChI InChI=1S/C20H27FN4O/c1-14-8-17(25-20(22)9-14)10-16-12-24-13-19(16)26-7-6-23-11-15-4-2-3-5-18(15)21/h2-5,8-9,16,19,23-24H,6-7,10-13H2,1H3,(H2,22,25)/t16-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.00E+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 recombinant bovine eNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ
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Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50366041 (CHEMBL1956738 | US8927730, 3a) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2F)c1 |r| Show InChI InChI=1S/C20H27FN4O/c1-14-8-17(25-20(22)9-14)10-16-12-24-13-19(16)26-7-6-23-11-15-4-2-3-5-18(15)21/h2-5,8-9,16,19,23-24H,6-7,10-13H2,1H3,(H2,22,25)/t16-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	4.00E+4	-26.1	n/a	n/a	n/a	n/a	n/a	7.4	37
Northwestern University US Patent					Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...				US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V
					More data for this Ligand-Target Pair