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BDBM50404289 CHEMBL8376

SMILES: Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=IOUBYYSILSOUNU-UHFFFAOYSA-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 = 50404289   
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 V; ATP synthase


(Bos taurus)
BDBM50404289
PNG
(CHEMBL8376)
Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H14Cl3N3OS/c19-12-1-4-14(5-2-12)23-18(26)25-17(10-24-8-7-22-11-24)15-6-3-13(20)9-16(15)21/h1-9,11,17H,10H2,(H,23,26)
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
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404289
PNG
(CHEMBL8376)
Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H14Cl3N3OS/c19-12-1-4-14(5-2-12)23-18(26)25-17(10-24-8-7-22-11-24)15-6-3-13(20)9-16(15)21/h1-9,11,17H,10H2,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/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