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BDBM50409655 CHEMBL152577

SMILES: CCCCCCS(=O)(=O)CC(C)=O

InChI Key: InChIKey=FIMACEIKKPQUFZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50409655   
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
Carboxylesterase


(Sus scrofa)
BDBM50409655
PNG
(CHEMBL152577)
Show SMILES CCCCCCS(=O)(=O)CC(C)=O
Show InChI InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Mus musculus)
BDBM50409655
PNG
(CHEMBL152577)
Show SMILES CCCCCCS(=O)(=O)CC(C)=O
Show InChI InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.79E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50409655
PNG
(CHEMBL152577)
Show SMILES CCCCCCS(=O)(=O)CC(C)=O
Show InChI InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.05E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


Citation and Details
More data for this
Ligand-Target Pair
CG8425-PA [Drosophila melanogaster]


(Drosophila melanogaster)
BDBM50409655
PNG
(CHEMBL152577)
Show SMILES CCCCCCS(=O)(=O)CC(C)=O
Show InChI InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.13E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of Trichoplusia Juvenile Hormone Esterase.


Citation and Details
More data for this
Ligand-Target Pair