Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial' and Ligand = 'BDBM50094723'   

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
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50094723 (Acetic acid 12-acetoxy-12-[5'-(1-acetoxy-undecyl)-...) Show SMILES CCCCCCCCCC[C@H](OC(C)=O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@H](CC1=C[C@H](C)OC1=O)OC(C)=O)OC(C)=O |t:40| Show InChI InChI=1S/C43H72O10/c1-6-7-8-9-10-14-17-20-23-37(50-33(4)45)39-25-27-41(52-39)42-28-26-40(53-42)38(51-34(5)46)24-21-18-15-12-11-13-16-19-22-36(49-32(3)44)30-35-29-31(2)48-43(35)47/h29,31,36-42H,6-28,30H2,1-5H3/t31-,36+,37-,38+,39+,40+,41-,42-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of NADH oxidase activity.				J Med Chem 43: 4793-800 (2000) BindingDB Entry DOI: 10.7270/Q2FN16WQ
					More data for this Ligand-Target Pair