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Compile Data Set for Download or QSAR

Found 8 hits of ki for UniProtKB: Q29550   
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)
BDBM50300582
PNG
(CHEMBL573979 | Dibutyl 2,2,2-trifluoro-1-phenyleth...)
Show SMILES CCCCOP(=O)(OCCCC)OC(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H24F3O4P/c1-3-5-12-21-24(20,22-13-6-4-2)23-15(16(17,18)19)14-10-8-7-9-11-14/h7-11,15H,3-6,12-13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
156n/an/an/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis


Bioorg Med Chem Lett 19: 5528-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.065
BindingDB Entry DOI: 10.7270/Q2VH5NXD
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50267978
PNG
(CHEMBL4096931)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
230n/an/an/an/an/an/an/an/a



Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia.

Curated by ChEMBL




Bioorg Med Chem 25: 3997-4007 (2017)


Article DOI: 10.1016/j.bmc.2017.05.045
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50268001
PNG
(CHEMBL4100446)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
570n/an/an/an/an/an/an/an/a



Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia.

Curated by ChEMBL




Bioorg Med Chem 25: 3997-4007 (2017)


Article DOI: 10.1016/j.bmc.2017.05.045
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50267979
PNG
(CHEMBL4069738)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
700n/an/an/an/an/an/an/an/a



Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia.

Curated by ChEMBL




Bioorg Med Chem 25: 3997-4007 (2017)


Article DOI: 10.1016/j.bmc.2017.05.045
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50267977
PNG
(CHEMBL4080436)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia.

Curated by ChEMBL




Bioorg Med Chem 25: 3997-4007 (2017)


Article DOI: 10.1016/j.bmc.2017.05.045
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50300581
PNG
(CHEMBL575301 | Diethyl 2,2,2-trifluoro-1-phenyleth...)
Show SMILES CCOP(=O)(OCC)OC(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C12H16F3O4P/c1-3-17-20(16,18-4-2)19-11(12(13,14)15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.33E+3n/an/an/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis


Bioorg Med Chem Lett 19: 5528-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.065
BindingDB Entry DOI: 10.7270/Q2VH5NXD
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50267981
PNG
(CHEMBL4089864)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.51E+3n/an/an/an/an/an/an/an/a



Postovsky Institute of Organic Synthesis, Urals Branch of Russian Academy of Sciences, Yekaterinburg 620990, Russia.

Curated by ChEMBL




Bioorg Med Chem 25: 3997-4007 (2017)


Article DOI: 10.1016/j.bmc.2017.05.045
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50300580
PNG
(CHEMBL575281 | Dimethyl 2,2,2-trifluoro-1-phenylet...)
Show SMILES COP(=O)(OC)OC(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C10H12F3O4P/c1-15-18(14,16-2)17-9(10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.64E+3n/an/an/an/an/an/an/an/a



Institute of Physiologically Active Compounds Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase by Lineweaver-Burk analysis


Bioorg Med Chem Lett 19: 5528-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.065
BindingDB Entry DOI: 10.7270/Q2VH5NXD
More data for this
Ligand-Target Pair