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BDBM50404305 CHEMBL8499

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2ncc[nH]2)c2ccccc2C1

InChI Key: InChIKey=RHVJCBFPRBRDSX-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 = 50404305   
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)
BDBM50404305
PNG
(CHEMBL8499)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2ncc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-28(18-15-26)38(36,37)34-21-25-11-7-8-12-29(25)35(23-30-32-19-20-33-30)27(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-20,27H,13,16,21-23H2,1-3H3,(H,32,33)
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
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404305
PNG
(CHEMBL8499)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2ncc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-28(18-15-26)38(36,37)34-21-25-11-7-8-12-29(25)35(23-30-32-19-20-33-30)27(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-20,27H,13,16,21-23H2,1-3H3,(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+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