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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50124880   
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
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124880
PNG
(CHEMBL3623550)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-4-7(2)15-6-8(5-14-15)9(16)10(11,12)13/h5-7H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50124880
PNG
(CHEMBL3623550)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-4-7(2)15-6-8(5-14-15)9(16)10(11,12)13/h5-7H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50124880
PNG
(CHEMBL3623550)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-4-7(2)15-6-8(5-14-15)9(16)10(11,12)13/h5-7H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE after 10 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50124880
PNG
(CHEMBL3623550)
Show SMILES CCCC(C)n1cc(cn1)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3N2O/c1-3-4-7(2)15-6-8(5-14-15)9(16)10(11,12)13/h5-7H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE after 60 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair