Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NADH-ubiquinone oxidoreductase chain 1' and Ligand = 'BDBM92947'   

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
NADH-ubiquinone oxidoreductase chain 1 (Bos taurus (Bovine))	BDBM92947 (Piperazine derivative, 11) Show SMILES O[C@H](CCCCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCCCc2ccccc2)CC1 |r| Show InChI InChI=1S/C38H62N2O2/c41-37(27-19-9-5-1-3-7-13-21-35-23-15-11-16-24-35)33-39-29-31-40(32-30-39)34-38(42)28-20-10-6-2-4-8-14-22-36-25-17-12-18-26-36/h11-12,15-18,23-26,37-38,41-42H,1-10,13-14,19-22,27-34H2/t37-,38-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University					Assay Description Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).				Biochemistry 47: 10816-26 (2008) Article DOI: 10.1021/bi8010362 BindingDB Entry DOI: 10.7270/Q2D50KKQ
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