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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50209402   
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
Cocaine esterase


(Homo sapiens (Human))
BDBM50209402
PNG
(1,2-bis(2,3-fluorophenyl)ethane-1,2-dione | CHEMBL...)
Show SMILES Fc1cccc(C(=O)C(=O)c2cccc(F)c2F)c1F
Show InChI InChI=1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.98n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase


Bioorg Med Chem 15: 3801-17 (2007)


Article DOI: 10.1016/j.bmc.2007.03.012
BindingDB Entry DOI: 10.7270/Q29G5MGV
More data for this
Ligand-Target Pair
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM50209402
PNG
(1,2-bis(2,3-fluorophenyl)ethane-1,2-dione | CHEMBL...)
Show SMILES Fc1cccc(C(=O)C(=O)c2cccc(F)c2F)c1F
Show InChI InChI=1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
34.7n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1


Bioorg Med Chem 15: 3801-17 (2007)


Article DOI: 10.1016/j.bmc.2007.03.012
BindingDB Entry DOI: 10.7270/Q29G5MGV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50209402
PNG
(1,2-bis(2,3-fluorophenyl)ethane-1,2-dione | CHEMBL...)
Show SMILES Fc1cccc(C(=O)C(=O)c2cccc(F)c2F)c1F
Show InChI InChI=1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.27E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human BChE


Bioorg Med Chem 15: 3801-17 (2007)


Article DOI: 10.1016/j.bmc.2007.03.012
BindingDB Entry DOI: 10.7270/Q29G5MGV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50209402
PNG
(1,2-bis(2,3-fluorophenyl)ethane-1,2-dione | CHEMBL...)
Show SMILES Fc1cccc(C(=O)C(=O)c2cccc(F)c2F)c1F
Show InChI InChI=1S/C14H6F4O2/c15-9-5-1-3-7(11(9)17)13(19)14(20)8-4-2-6-10(16)12(8)18/h1-6H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human AChE


Bioorg Med Chem 15: 3801-17 (2007)


Article DOI: 10.1016/j.bmc.2007.03.012
BindingDB Entry DOI: 10.7270/Q29G5MGV
More data for this
Ligand-Target Pair