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There are 5 purchasable compounds for target: Carboxylesterase

Wt: 210.2
BDBM22722
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Wt: 184.1
BDBM50022772
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Wt: 357.4
BDBM50157741
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Wt: 215.0
BDBM50199883
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Wt: 156.2
BDBM50409665
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 22722,50022772,50157741,50199883,50409665   
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)
BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate


Antimicrob Agents Chemother 51: 543-50 (2007)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50022772
PNG
(CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...)
Show SMILES CC(C)OP(F)(=O)OC(C)C
Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate


Antimicrob Agents Chemother 51: 543-50 (2007)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50409665
PNG
(CHEMBL47127)
Show SMILES CCCCCCCCC(C)=O
Show InChI InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.76E+7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine carboxylesterase.


Citation and Details
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM22722
PNG
(1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...)
Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 830n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCCN=C(N)N
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
PDB

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PC cid
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PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate


Antimicrob Agents Chemother 51: 543-50 (2007)

More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM22722
PNG
(1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...)
Show SMILES O=C(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of pig liver carboxylesterase after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair