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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 = 'BDBM50404316'   
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)
BDBM50404316
PNG
(CHEMBL8247)
Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H27N5O2S/c29-16-23-11-14-27(15-12-23)36(34,35)32-18-24-8-4-5-9-28(24)33(19-25-17-30-21-31-25)26(20-32)13-10-22-6-2-1-3-7-22/h1-9,11-12,14-15,17,21,26H,10,13,18-20H2,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 255n/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: 1031-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.052
BindingDB Entry DOI: 10.7270/Q2D50MCF
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404316
PNG
(CHEMBL8247)
Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H27N5O2S/c29-16-23-11-14-27(15-12-23)36(34,35)32-18-24-8-4-5-9-28(24)33(19-25-17-30-21-31-25)26(20-32)13-10-22-6-2-1-3-7-22/h1-9,11-12,14-15,17,21,26H,10,13,18-20H2,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/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: 1031-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.052
BindingDB Entry DOI: 10.7270/Q2D50MCF
More data for this
Ligand-Target Pair