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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NADH-ubiquinone oxidoreductase MLRQ subunit' and Ligand = 'BDBM50172381'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens (Human))
BDBM50172381
PNG
(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)
Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC |c:17|
Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3
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PC cid
PC sid
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n/an/a 55n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH-ubiquinone oxidoreductase


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit


(Homo sapiens (Human))
BDBM50172381
PNG
(2,2-Dimethyl-2H-chromene-6-carboxylic acid 3,4,5-t...)
Show SMILES COc1cc(COC(=O)c2ccc3OC(C)(C)C=Cc3c2)cc(OC)c1OC |c:17|
Show InChI InChI=1S/C22H24O6/c1-22(2)9-8-15-12-16(6-7-17(15)28-22)21(23)27-13-14-10-18(24-3)20(26-5)19(11-14)25-4/h6-12H,13H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against NADH ubiquinone oxidoreductase


J Med Chem 48: 5613-38 (2005)


Article DOI: 10.1021/jm050524f
BindingDB Entry DOI: 10.7270/Q2V988V1
More data for this
Ligand-Target Pair