Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, endothelial' and Ligand = 'BDBM50437696'   

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))	BDBM50437696 (CHEMBL2408677) Show SMILES CC(=O)O[C@@H]1Cc2c(OC(C)=O)cc(OC(C)=O)cc2O[C@@H]1c1ccc(OC(C)=O)c(OC(C)=O)c1 |r| Show InChI InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3/t24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00600	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Activation of eNOS in BCAEC assessed as increase in nitric oxide level after 10 mins by fluorometric analysis				Bioorg Med Chem Lett 23: 4441-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.079 BindingDB Entry DOI: 10.7270/Q2P84D93
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