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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'khudina' and Initial = 'og'   
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


(Sus scrofa)
BDBM50529195
PNG
(CHEMBL4475685)
Show SMILES Cc1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C11H9F3N2O3/c1-6-2-4-7(5-3-6)15-16-8(10(18)19)9(17)11(12,13)14/h2-5,15H,1H3,(H,18,19)/b16-8-
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337n/an/an/an/an/an/an/an/a



Ural Branch of Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of porcine liver carboxylesterase by double reciprocal Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126716
BindingDB Entry DOI: 10.7270/Q2CR5XTF
More data for this
Ligand-Target Pair
Liver carboxylesterase


(Sus scrofa)
BDBM50529191
PNG
(CHEMBL4564380)
Show SMILES CCOC(=O)c1ccccc1N\N=C(/C(O)=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O5/c1-2-23-12(22)7-5-3-4-6-8(7)17-18-9(11(20)21)10(19)13(14,15)16/h3-6,17H,2H2,1H3,(H,20,21)/b18-9-
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n/an/a 70n/an/an/an/an/an/a



Ural Branch of Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126716
BindingDB Entry DOI: 10.7270/Q2CR5XTF
More data for this
Ligand-Target Pair
Liver carboxylesterase


(Sus scrofa)
BDBM50529193
PNG
(CHEMBL4585339)
Show SMILES CCOC(=O)c1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C13H11F3N2O5/c1-2-23-12(22)7-3-5-8(6-4-7)17-18-9(11(20)21)10(19)13(14,15)16/h3-6,17H,2H2,1H3,(H,20,21)/b18-9-
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PC cid
PC sid
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n/an/a 324n/an/an/an/an/an/a



Ural Branch of Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126716
BindingDB Entry DOI: 10.7270/Q2CR5XTF
More data for this
Ligand-Target Pair
Liver carboxylesterase


(Sus scrofa)
BDBM50529195
PNG
(CHEMBL4475685)
Show SMILES Cc1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C11H9F3N2O3/c1-6-2-4-7(5-3-6)15-16-8(10(18)19)9(17)11(12,13)14/h2-5,15H,1H3,(H,18,19)/b16-8-
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Ural Branch of Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126716
BindingDB Entry DOI: 10.7270/Q2CR5XTF
More data for this
Ligand-Target Pair
Liver carboxylesterase


(Sus scrofa)
BDBM50130915
PNG
(CHEBI:3122 | CHEMBL1231178)
Show SMILES OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)
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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Ural Branch of Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126716
BindingDB Entry DOI: 10.7270/Q2CR5XTF
More data for this
Ligand-Target Pair
Liver carboxylesterase


(Sus scrofa)
BDBM50529192
PNG
(CHEMBL4438172)
Show SMILES COc1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C11H9F3N2O4/c1-20-7-4-2-6(3-5-7)15-16-8(10(18)19)9(17)11(12,13)14/h2-5,15H,1H3,(H,18,19)/b16-8-
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.62E+3n/an/an/an/an/an/a



Ural Branch of Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126716
BindingDB Entry DOI: 10.7270/Q2CR5XTF
More data for this
Ligand-Target Pair
Liver carboxylesterase


(Sus scrofa)
BDBM50529194
PNG
(CHEMBL4461638)
Show SMILES OC(=O)C(=N/Nc1ccc(cc1)[N+]([O-])=O)\C(=O)C(F)(F)F
Show InChI InChI=1S/C10H6F3N3O5/c11-10(12,13)8(17)7(9(18)19)15-14-5-1-3-6(4-2-5)16(20)21/h1-4,14H,(H,18,19)/b15-7-
PDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.76E+3n/an/an/an/an/an/a



Ural Branch of Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric a...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126716
BindingDB Entry DOI: 10.7270/Q2CR5XTF
More data for this
Ligand-Target Pair