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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitochondrial complex V; ATP synthase' and Ligand = 'BDBM50404292'   
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
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404292
PNG
(CHEMBL8124)
Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)cc1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-1-4-15(5-2-13)26-19(25-11-23)27-18(10-28-8-7-24-12-28)16-6-3-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404292
PNG
(CHEMBL8124)
Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)cc1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-1-4-15(5-2-13)26-19(25-11-23)27-18(10-28-8-7-24-12-28)16-6-3-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair