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Compile Data Set for Download or QSAR

Found 21 hits of affinity data for UniProtKB/TrEMBL: Q91WG0   
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
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409669
PNG
(CHEMBL155514)
Show SMILES CCCCCC[Se](=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2Se/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 0.501n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50371971
PNG
(CHEMBL440542)
Show SMILES CCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3OS/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 12.6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409660
PNG
(CHEMBL155513)
Show SMILES CCCCCC[Se](=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O3Se/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3
PDB

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n/an/a 13.2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409672
PNG
(CHEMBL153080)
Show SMILES CCCCCCNCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H16F3NO/c1-2-3-4-5-6-13-7-8(14)9(10,11)12/h13H,2-7H2,1H3
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n/an/a 22.4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409670
PNG
(CHEMBL421992)
Show SMILES CCCCCCOCC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
PDB

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n/an/a 120n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409657
PNG
(CHEMBL153015)
Show SMILES CCCCCCCC(F)(F)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H15F5O/c1-2-3-4-5-6-7-9(11,12)8(16)10(13,14)15/h2-7H2,1H3
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n/an/a 162n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50371962
PNG
(CHEMBL155396)
Show SMILES CCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O2S/c1-2-3-4-5-6-15(14)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 447n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50371960
PNG
(CHEMBL155621)
Show SMILES CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3O3S/c1-2-3-4-5-6-16(14,15)7-8(13)9(10,11)12/h2-7H2,1H3
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n/an/a 447n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409658
PNG
(CHEMBL153177)
Show SMILES CCCCCC[Se]CC(=O)C(F)(F)F
Show InChI InChI=1S/C9H15F3OSe/c1-2-3-4-5-6-14-7-8(13)9(10,11)12/h2-7H2,1H3
PDB

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n/an/a 575n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409666
PNG
(CHEMBL152225)
Show SMILES CCCCCC[Se](=O)CC(C)=O
Show InChI InChI=1S/C9H18O2Se/c1-3-4-5-6-7-12(11)8-9(2)10/h3-8H2,1-2H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409661
PNG
(CHEMBL152843)
Show SMILES CCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h2-8H2,1H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409662
PNG
(CHEMBL152698)
Show SMILES CCCCCCCCC(=O)C(F)F
Show InChI InChI=1S/C10H18F2O/c1-2-3-4-5-6-7-8-9(13)10(11)12/h10H,2-8H2,1H3
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n/an/a 4.47E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409667
PNG
(CHEMBL152376)
Show SMILES CCCCCC[Se](=O)(=O)CC(C)=O
Show InChI InChI=1S/C9H18O3Se/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3
PDB

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n/an/a 1.12E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409663
PNG
(CHEMBL150821)
Show SMILES CCCCCC[Se]CC(C)=O
Show InChI InChI=1S/C9H18OSe/c1-3-4-5-6-7-11-8-9(2)10/h3-8H2,1-2H3
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n/an/a 3.02E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409659
PNG
(CHEMBL153556)
Show SMILES CCCCCCOCC(C)=O
Show InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-11-8-9(2)10/h3-8H2,1-2H3
PDB

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n/an/a 4.27E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409655
PNG
(CHEMBL152577)
Show SMILES CCCCCCS(=O)(=O)CC(C)=O
Show InChI InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3
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n/an/a 4.79E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409668
PNG
(CHEMBL153107)
Show SMILES CCCCCCSCC(C)=O
Show InChI InChI=1S/C9H18OS/c1-3-4-5-6-7-11-8-9(2)10/h3-8H2,1-2H3
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n/an/a 9.55E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409664
PNG
(CHEMBL153601)
Show SMILES CCCCCCCCC(=O)CF
Show InChI InChI=1S/C10H19FO/c1-2-3-4-5-6-7-8-10(12)9-11/h2-9H2,1H3
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n/an/a 1.78E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409671
PNG
(CHEMBL356917)
Show SMILES CCCCCCC#CC(=O)C(F)(F)F
Show InChI InChI=1S/C10H13F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h2-6H2,1H3
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n/an/a 2.04E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		BDBM50409656
PNG
(CHEMBL150648)
Show SMILES CCCCCCC=CC(=O)C(F)(F)F |w:6.5|
Show InChI InChI=1S/C10H15F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h7-8H,2-6H2,1H3
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n/an/a 1.48E+7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair
Acylcarnitine hydrolase


(Mus musculus)		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
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n/an/a 1.70E+8n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of carboxylesterase in murine liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair