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BDBM50409664 CHEMBL153601

SMILES: CCCCCCCCC(=O)CF

InChI Key: InChIKey=ZHHDPMJFHGUJRF-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 = 50409664   
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 2


(Mus musculus)
BDBM50409664
PNG
(CHEMBL153601)
Show SMILES CCCCCCCCC(=O)CF
Show InChI InChI=1S/C10H19FO/c1-2-3-4-5-6-7-8-10(12)9-11/h2-9H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.78E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.


J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
CG8425-PA [Drosophila melanogaster]


(Drosophila melanogaster)
BDBM50409664
PNG
(CHEMBL153601)
Show SMILES CCCCCCCCC(=O)CF
Show InChI InChI=1S/C10H19FO/c1-2-3-4-5-6-7-8-10(12)9-11/h2-9H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.50E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of Trichoplusia Juvenile Hormone Esterase.


J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50409664
PNG
(CHEMBL153601)
Show SMILES CCCCCCCCC(=O)CF
Show InChI InChI=1S/C10H19FO/c1-2-3-4-5-6-7-8-10(12)9-11/h2-9H2,1H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.41E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


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


J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409664
PNG
(CHEMBL153601)
Show SMILES CCCCCCCCC(=O)CF
Show InChI InChI=1S/C10H19FO/c1-2-3-4-5-6-7-8-10(12)9-11/h2-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.51E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair