BDBM50135523 (S)-3-{(2R,13S)-2,13-Dihydroxy-13-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-8-oxo-tridecyl}-5-methyl-5H-furan-2-one::CHEMBL134189

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

InChI Key: InChIKey=WVAPCAKZINGVII-USADZZRWSA-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 = 50135523   

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)	BDBM50135523 ((S)-3-{(2R,13S)-2,13-Dihydroxy-13-[(2S,5S)-5-((S)-...) Show SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCCC(=O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O |t:36| Show InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31-,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
					More data for this Ligand-Target Pair