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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50233199   
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
Liver carboxylesterase 1


(Homo sapiens (Human))
BDBM50233199
PNG
(CHEMBL4098780)
Show SMILES Brc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
Show InChI InChI=1S/C16H9BrO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
BindingDB Entry DOI: 10.7270/Q2FF3VMP
More data for this
Ligand-Target Pair
Cocaine esterase


(Homo sapiens (Human))
BDBM50233199
PNG
(CHEMBL4098780)
Show SMILES Brc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
Show InChI InChI=1S/C16H9BrO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
BindingDB Entry DOI: 10.7270/Q2FF3VMP
More data for this
Ligand-Target Pair