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BDBM50130144 2-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5,6-dimethoxy-3-methyl-[1,4]benzoquinone::CHEMBL80522

SMILES: CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O

InChI Key: InChIKey=OFCJBIQLKGLZST-QQSYFFQDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130144   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Mitochondrial complex I; NADH oxidoreductase


(Bos taurus)		BDBM50130144
PNG
(2-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((R)-1...)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O |w:34.35|
Show InChI InChI=1S/C41H70O8/c1-5-6-7-8-9-15-18-21-24-32(42)34-26-28-36(48-34)37-29-27-35(49-37)33(43)25-22-19-16-13-11-10-12-14-17-20-23-31-30(2)38(44)40(46-3)41(47-4)39(31)45/h20,23,32-37,42-45H,5-19,21-22,24-29H2,1-4H3/t32-,33-,34-,35-,36-,37-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.

Bioorg Med Chem Lett 13: 2385-8 (2003)


BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair