BDBM50094718 3-{2,11-Dihydroxy-11-[5'-(1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-undecyl}-5-methyl-5H-furan-2-one(Rollimembrin)::CHEMBL145222

SMILES: CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC[C@@H](O)CC1=C[C@H](C)OC1=O

InChI Key: InChIKey=YVZIPERWMPDEIZ-FIWQLPPOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50094718   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitochondrial complex I; NADH oxidoreductase (Bos taurus)	BDBM50094718 (3-{2,11-Dihydroxy-11-[5'-(1-hydroxy-undecyl)-octah...) Show SMILES CCCCCCCCCC[C@H](O)[C@H]1CC[C@H](O1)[C@@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |t:37| Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3/t26-,28+,29-,30+,31+,32+,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.330	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