BindingDB logo
myBDB logout

14 similar compounds to monomer 50350328

Wt: 128.1
BDBM22769
Purchase
Wt: 114.1
BDBM50028842
Purchase
Wt: 128.2
BDBM50028815
Purchase
Wt: 112.1
BDBM50028831
Purchase
Wt: 198.3
BDBM50358400
Purchase
Wt: 198.3
BDBM50358402
Purchase
Wt: 212.3
BDBM50358406
Wt: 142.1
BDBM50350319
Purchase
Wt: 170.2
BDBM50350320
Wt: 198.3
BDBM50350321
Wt: 226.3
BDBM50350327
Wt: 282.4
BDBM50350329
Wt: 156.2
BDBM50409665
Purchase
Wt: 254.4
BDBM50436157
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 22769,50028842,50028815,50028831,50358400,50358402,50358406,50350319,50350320,50350321,50350327,50350329,50409665,50436157   
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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350329
PNG
(CHEMBL1812859)
Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC
Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350321
PNG
(CHEMBL1812856)
Show SMILES CCCCCC(=O)C(=O)CCCCC
Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay


J Nat Prod 76: 36-44 (2013)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350329
PNG
(CHEMBL1812859)
Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC
Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.70n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM50350329
PNG
(CHEMBL1812859)
Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC
Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.1n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350329
PNG
(CHEMBL1812859)
Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC
Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
24.5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM50350321
PNG
(CHEMBL1812856)
Show SMILES CCCCCC(=O)C(=O)CCCCC
Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
38.6n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350320
PNG
(CHEMBL1812855)
Show SMILES CCCCC(=O)C(=O)CCCC
Show InChI InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
46.6n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350321
PNG
(CHEMBL1812856)
Show SMILES CCCCCC(=O)C(=O)CCCCC
Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
57.7n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
76.4n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
77n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay


J Nat Prod 76: 36-44 (2013)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350320
PNG
(CHEMBL1812855)
Show SMILES CCCCC(=O)C(=O)CCCC
Show InChI InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350320
PNG
(CHEMBL1812855)
Show SMILES CCCCC(=O)C(=O)CCCC
Show InChI InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
189n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350321
PNG
(CHEMBL1812856)
Show SMILES CCCCCC(=O)C(=O)CCCCC
Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
193n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
271n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM50350320
PNG
(CHEMBL1812855)
Show SMILES CCCCC(=O)C(=O)CCCC
Show InChI InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
944n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
BDBM50350319
PNG
(CHEMBL1812854)
Show SMILES CCCC(=O)C(=O)CCC
Show InChI InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.67E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350319
PNG
(CHEMBL1812854)
Show SMILES CCCC(=O)C(=O)CCC
Show InChI InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.06E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM22769
PNG
(Benzil-related compound, 47 | heptane-2,3-dione)
Show SMILES CCCCC(=O)C(C)=O
Show InChI InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.69E+4n/an/an/an/an/an/an/an/a



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 48: 2906-15 (2005)

More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM50350319
PNG
(CHEMBL1812854)
Show SMILES CCCC(=O)C(=O)CCC
Show InChI InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.78E+4n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50350329
PNG
(CHEMBL1812859)
Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC
Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50350320
PNG
(CHEMBL1812855)
Show SMILES CCCCC(=O)C(=O)CCCC
Show InChI InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50350319
PNG
(CHEMBL1812854)
Show SMILES CCCC(=O)C(=O)CCC
Show InChI InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50350321
PNG
(CHEMBL1812856)
Show SMILES CCCCCC(=O)C(=O)CCCCC
Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM22769
PNG
(Benzil-related compound, 47 | heptane-2,3-dione)
Show SMILES CCCCC(=O)C(C)=O
Show InChI InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 48: 2906-15 (2005)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50350329
PNG
(CHEMBL1812859)
Show SMILES CCCCCCCCC(=O)C(=O)CCCCCCCC
Show InChI InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50350327
PNG
(CHEMBL1812857)
Show SMILES CCCCCCC(=O)C(=O)CCCCCC
Show InChI InChI=1S/C14H26O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50350321
PNG
(CHEMBL1812856)
Show SMILES CCCCCC(=O)C(=O)CCCCC
Show InChI InChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50350320
PNG
(CHEMBL1812855)
Show SMILES CCCCC(=O)C(=O)CCCC
Show InChI InChI=1S/C10H18O2/c1-3-5-7-9(11)10(12)8-6-4-2/h3-8H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50350319
PNG
(CHEMBL1812854)
Show SMILES CCCC(=O)C(=O)CCC
Show InChI InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 19: 4635-43 (2011)

More data for this
Ligand-Target Pair
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM22769
PNG
(Benzil-related compound, 47 | heptane-2,3-dione)
Show SMILES CCCCC(=O)C(C)=O
Show InChI InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Mississippi



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 48: 2906-15 (2005)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM22769
PNG
(Benzil-related compound, 47 | heptane-2,3-dione)
Show SMILES CCCCC(=O)C(C)=O
Show InChI InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Mississippi



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 48: 2906-15 (2005)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM22769
PNG
(Benzil-related compound, 47 | heptane-2,3-dione)
Show SMILES CCCCC(=O)C(C)=O
Show InChI InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Mississippi



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 48: 2906-15 (2005)

More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens)
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
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.51E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


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


Citation and Details
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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 2


(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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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.


Citation and Details
More data for this
Ligand-Target Pair
CG8425-PA [Drosophila melanogaster]


(Drosophila melanogaster)
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
KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.08E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of Trichoplusia Juvenile Hormone Esterase.


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50436157
PNG
(CHEMBL2398215)
Show SMILES CCCCCCCCC(=O)CCCCCCCC
Show InChI InChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy-naphthelen-2-yl)methyl trans-[(3-phenyl-oxiran-2-yl)methyl] carbonat...


Bioorg Med Chem Lett 23: 3818-21 (2013)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028831
PNG
(CHEMBL18607 | Cycloheptanone)
Show SMILES O=C1CCCCCC1
Show InChI InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


Citation and Details
More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358402
PNG
(CHEMBL1922860)
Show SMILES CCCCCCCCCC(=O)CCC
Show InChI InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358400
PNG
(CHEMBL1922862)
Show SMILES CCCCCCCCCCC(=O)CC
Show InChI InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028815
PNG
(CHEMBL18549 | Octan-2-one)
Show SMILES CCCCCCC(C)=O
Show InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6.64E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


Citation and Details
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028842
PNG
(2-Heptanone | CHEMBL18893 | Heptan-2-one | Methyl ...)
Show SMILES CCCCCC(C)=O
Show InChI InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 6.69E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


Citation and Details
More data for this
Ligand-Target Pair
CAI-1 autoinducer sensor kinase/phosphatase CqsS


(Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)
BDBM50358406
PNG
(CHEMBL1922856)
Show SMILES CCCCCCCCCC(=O)C(=O)CC
Show InChI InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h3-11H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



Princeton University

Curated by ChEMBL


Assay Description
Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene...


Bioorg Med Chem 19: 6906-18 (2011)

More data for this
Ligand-Target Pair