BindingDB logo
myBDB logout

BDBM50130143 (R)-1-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-hexyl)-octahydro-[2,2']bifuranyl-5-yl]-hexan-1-ol::(R)-1-[(2R,5R,4'R)-5'-((1R,2R)-1-Hydroxy-hexyl)-octahydro-[2,2']bifuranyl-5-yl]-hexan-1-ol::CHEMBL80354

SMILES: CCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC

InChI Key: InChIKey=XZNKTKFFQRIQAN-BZIXAJQCSA-N

Data: 2 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 2 hits for monomerid = 50130143   
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)
BDBM50130143
PNG
((R)-1-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-hexyl)-oc...)
Show SMILES CCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC
Show InChI InChI=1S/C20H38O4/c1-3-5-7-9-15(21)17-11-13-19(23-17)20-14-12-18(24-20)16(22)10-8-6-4-2/h15-22H,3-14H2,1-2H3/t15-,16-,17-,18-,19-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/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)


Article DOI: 10.1016/s0960-894x(03)00439-6
BindingDB Entry DOI: 10.7270/Q2N58MWC
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)
BDBM50130143
PNG
((R)-1-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-hexyl)-oc...)
Show SMILES CCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCC
Show InChI InChI=1S/C20H38O4/c1-3-5-7-9-15(21)17-11-13-19(23-17)20-14-12-18(24-20)16(22)10-8-6-4-2/h15-22H,3-14H2,1-2H3/t15-,16-,17-,18-,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay


Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair