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Compile Data Set for Download or QSAR

Found 197 hits Enz. Inhib. hit(s) with Target = 'Carboxylesterase 2'   
Target
(Institution)
LigandTarget
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
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
KEGG

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PubMed
n/an/a 0.178n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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
KEGG

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PubMed
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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
KEGG

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PubMed
n/an/a 3.39n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
KEGG

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PubMed
n/an/a 5.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
NCI pathway
KEGG

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PubMed
n/an/a 5.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
KEGG

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PubMed
n/an/a 6.92n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371961
PNG
(CHEMBL270373)
Show SMILES CCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O2S/c1-2-3-4-5-6-7-8-17(16)9-10(15)11(12,13)14/h2-9H2,1H3
NCI pathway
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PubMed
n/an/a 7.40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371970
PNG
(CHEMBL89506)
Show SMILES CCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
NCI pathway
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PubMed
n/an/a 8.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371961
PNG
(CHEMBL270373)
Show SMILES CCCCCCCCS(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O2S/c1-2-3-4-5-6-7-8-17(16)9-10(15)11(12,13)14/h2-9H2,1H3
NCI pathway
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PubMed
n/an/a 11n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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
KEGG

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PubMed
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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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
KEGG

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PubMed
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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50154561
PNG
(CHEMBL3774603)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H56O6/c1-9-41-30(40)33(5)19-18-32(4)20-21-35(7)23(24(32)22-33)10-11-26-34(6)16-15-27(42-29(39)13-12-28(37)38)31(2,3)25(34)14-17-36(26,35)8/h10,24-27H,9,11-22H2,1-8H3,(H,37,38)/t24-,25-,26+,27-,32+,33-,34-,35+,36+/s2
NCI pathway
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PubMed
n/an/a 20n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371959
PNG
(CHEMBL86668)
Show SMILES CCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3
NCI pathway
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PubMed
n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371964
PNG
(CHEMBL273139)
Show SMILES CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O3S/c1-2-3-4-5-6-7-8-18(16,17)9-10(15)11(12,13)14/h2-9H2,1H3
NCI pathway
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PubMed
n/an/a 21n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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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PubMed
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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371964
PNG
(CHEMBL273139)
Show SMILES CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
Show InChI InChI=1S/C11H19F3O3S/c1-2-3-4-5-6-7-8-18(16,17)9-10(15)11(12,13)14/h2-9H2,1H3
NCI pathway
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PubMed
n/an/a 26n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
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PubMed
n/an/a 32.4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50371959
PNG
(CHEMBL86668)
Show SMILES CCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3
NCI pathway
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PubMed
n/an/a 36n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
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PubMed
n/an/a 38n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 5 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
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PubMed
n/an/a 44n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxylesterase 2 after 15 mins


Bioorg Med Chem 16: 2114-30 (2008)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
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PubMed
n/an/a 46.8n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
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PubMed
n/an/a 47.9n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
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n/an/a 100n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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
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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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
KEGG

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PubMed
n/an/a 309n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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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PubMed
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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(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
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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)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50154559
PNG
(CHEMBL2151605)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H54O7/c1-9-42-30(41)33(5)17-16-32(4)18-19-35(7)22(23(32)21-33)20-24(37)29-34(6)14-13-26(43-28(40)11-10-27(38)39)31(2,3)25(34)12-15-36(29,35)8/h20,23,25-26,29H,9-19,21H2,1-8H3,(H,38,39)/t23-,25-,26-,29+,32+,33-,34-,35+,36+/s2
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n/an/a 660n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50130903
PNG
(CHEMBL3632950)
Show SMILES C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC(=O)C=C(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Show InChI InChI=1/C29H46O5/c1-16(13-23(32)25(33)26(3,4)34)19-8-10-28(6)21(19)14-22(31)24-27(5)15-18(30)12-17(2)20(27)9-11-29(24,28)7/h12,16,20,22-25,31-34H,8-11,13-15H2,1-7H3/t16-,20+,22+,23+,24+,25-,27+,28+,29+/s2
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n/an/a 2.02E+3n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay


J Nat Prod 78: 2372-80 (2015)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 2.04E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50154558
PNG
(CHEMBL3775320)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C36H57NO5/c1-23(38)42-28-12-13-34(6)27(31(28,2)3)11-14-36(8)29(34)26(39)21-24-25-22-33(5,30(40)41-20-19-37(9)10)16-15-32(25,4)17-18-35(24,36)7/h21,25,27-29H,11-20,22H2,1-10H3/t25-,27-,28-,29+,32+,33-,34-,35+,36+/s2
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n/an/a 3.42E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50303940
PNG
(2-(Benzylaminocarbonyloxy-)5-O-Salicyloyl-1,4:3,6-...)
Show SMILES Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(=O)NCc1ccccc1
Show InChI InChI=1S/C21H21NO7/c23-15-9-5-4-8-14(15)20(24)28-16-11-26-19-17(12-27-18(16)19)29-21(25)22-10-13-6-2-1-3-7-13/h1-9,16-19,23H,10-12H2,(H,22,25)/t16-,17+,18-,19-/m1/s1
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n/an/a 3.42E+3n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of human CES2-mediated pNPA substrate turnover


J Med Chem 53: 1190-9 (2010)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50154554
PNG
(CHEMBL3775391)
Show SMILES CN(C)CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C34H55NO4/c1-29(2)25-10-13-34(7)27(32(25,5)12-11-26(29)37)24(36)20-22-23-21-31(4,28(38)39-19-18-35(8)9)15-14-30(23,3)16-17-33(22,34)6/h20,23,25-27,37H,10-19,21H2,1-9H3/t23-,25-,26-,27+,30+,31-,32-,33+,34+/s2
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n/an/a 3.95E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50154560
PNG
(CHEMBL3775118)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C32H52O3/c1-9-35-26(34)29(5)17-16-28(4)18-19-31(7)21(22(28)20-29)10-11-24-30(6)14-13-25(33)27(2,3)23(30)12-15-32(24,31)8/h10,22-25,33H,9,11-20H2,1-8H3/t22-,23-,24+,25-,28+,29-,30-,31+,32+/s2
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n/an/a 3.99E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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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n/an/a 4.03E+3n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay


J Nat Prod 78: 2372-80 (2015)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50084040
PNG
(BAVACHININ A | Bavachinin A)
Show SMILES COc1cc2O[C@@H](CC(=O)c2cc1CC=C(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1
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n/an/a 4.31E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 4.37E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50130901
PNG
(CHEMBL3632948)
Show SMILES C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C
Show InChI InChI=1/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h10-11,19-20,22,25,32-33H,9,12-18H2,1-8H3/t19-,20-,22+,25+,28+,29+,30+/s2
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n/an/a 4.58E+3n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay


J Nat Prod 78: 2372-80 (2015)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50130908
PNG
(CHEMBL3632954)
Show SMILES C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Show InChI InChI=1/C30H50O4/c1-18(17-21(31)25(33)27(4,5)34)19-11-15-29(7)20(19)9-10-23-28(6)14-13-24(32)26(2,3)22(28)12-16-30(23,29)8/h18,21-23,25,31,33-34H,9-17H2,1-8H3/t18-,21+,22+,23+,25-,28+,29+,30+/s2
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n/an/a 4.63E+3n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay


J Nat Prod 78: 2372-80 (2015)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50130884
PNG
(CHEMBL3632946)
Show SMILES CCOC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Show InChI InChI=1/C32H54O5/c1-10-37-29(5,6)27(36)23(34)17-19(2)20-11-15-31(8)21(20)18-22(33)26-30(7)14-13-25(35)28(3,4)24(30)12-16-32(26,31)9/h19,22-24,26-27,33-34,36H,10-18H2,1-9H3/t19-,22+,23+,24+,26+,27-,30+,31+,32+/s2
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n/an/a 4.72E+3n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay


J Nat Prod 78: 2372-80 (2015)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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 5.01E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.


J Med Chem 45: 5576-93 (2002)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50058817
PNG
(CHEMBL1271483)
Show SMILES COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29-,30+,31+/s2
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n/an/a 5.61E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50154562
PNG
(CHEMBL1271536)
Show SMILES CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
Show InChI InChI=1/C32H50O4/c1-9-36-26(35)29(5)15-14-28(4)16-17-31(7)20(21(28)19-29)18-22(33)25-30(6)12-11-24(34)27(2,3)23(30)10-13-32(25,31)8/h18,21,23-25,34H,9-17,19H2,1-8H3/t21-,23-,24-,25+,28+,29-,30-,31+,32+/s2
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n/an/a 5.70E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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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n/an/a 6.11E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50346605
PNG
(CHEMBL487933)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27-,28-,29+,30+/m0/s1
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n/an/a 6.95E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50154556
PNG
(CHEMBL1271200)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(N)=O)C1(C)C
Show InChI InChI=1/C32H49NO4/c1-19(34)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(35)17-20-21-18-29(5,26(33)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H2,33,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/s2
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PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 7.36E+3n/an/an/an/an/an/a



Dalian Institute of Chemical Physics

Curated by ChEMBL


Assay Description
Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...


Eur J Med Chem 112: 280-8 (2016)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50130919
PNG
(CHEMBL3632942)
Show SMILES C[C@H](C[C@H](O)[C@H](O)C(C)=C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
Show InChI InChI=1/C30H44O4/c1-17(2)26(34)20(31)15-18(3)25-19-9-10-23-28(6)13-12-24(33)27(4,5)22(28)11-14-29(23,7)30(19,8)16-21(25)32/h9-10,18,20,22-23,26,31,34H,1,11-16H2,2-8H3/t18-,20+,22+,23+,26-,28+,29+,30+/s2
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 8.68E+3n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay


J Nat Prod 78: 2372-80 (2015)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50130922
PNG
(CHEMBL3632941)
Show SMILES C[C@H](CC(=O)[C@H](O)C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
Show InChI InChI=1/C30H44O5/c1-17(15-19(31)25(34)27(4,5)35)24-18-9-10-22-28(6)13-12-23(33)26(2,3)21(28)11-14-29(22,7)30(18,8)16-20(24)32/h9-10,17,21-22,25,34-35H,11-16H2,1-8H3/t17-,21+,22+,25+,28+,29+,30+/s2
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Liaoning University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay


J Nat Prod 78: 2372-80 (2015)

More data for this
Ligand-Target Pair
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