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4 similar compounds to monomer 50350325

Wt: 162.1
BDBM50350322
Purchase
Wt: 176.2
BDBM50350323
Purchase
Wt: 190.2
BDBM50350324
Wt: 218.2
BDBM50350326

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50350322,50350323,50350324,50350326   
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))
BDBM50350326
PNG
(CHEMBL1812864)
Show SMILES CCCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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2.19n/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))
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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26n/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))
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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26.1n/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 1


(Oryctolagus cuniculus (rabbit))
BDBM50350326
PNG
(CHEMBL1812864)
Show SMILES CCCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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28.1n/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)
BDBM50350326
PNG
(CHEMBL1812864)
Show SMILES CCCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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28.7n/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)
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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72.7n/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)
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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73n/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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350323
PNG
(CHEMBL1812861)
Show SMILES CCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
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102n/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)
BDBM50350326
PNG
(CHEMBL1812864)
Show SMILES CCCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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130n/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)
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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168n/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))
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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337n/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)
BDBM50350323
PNG
(CHEMBL1812861)
Show SMILES CCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
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PubMed
401n/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)
BDBM50350323
PNG
(CHEMBL1812861)
Show SMILES CCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
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PubMed
495n/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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50350322
PNG
(CHEMBL1812860)
Show SMILES CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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PubMed
1.55E+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
Carboxylesterase 2


(Homo sapiens)
BDBM50350322
PNG
(CHEMBL1812860)
Show SMILES CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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2.01E+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 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)
BDBM50350322
PNG
(CHEMBL1812860)
Show SMILES CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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2.42E+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
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM50350323
PNG
(CHEMBL1812861)
Show SMILES CCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
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2.71E+3n/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))
BDBM50350322
PNG
(CHEMBL1812860)
Show SMILES CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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1.25E+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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
PDB
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>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))
BDBM50350323
PNG
(CHEMBL1812861)
Show SMILES CCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
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>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))
BDBM50350322
PNG
(CHEMBL1812860)
Show SMILES CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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>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
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50350322
PNG
(CHEMBL1812860)
Show SMILES CCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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>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
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50350323
PNG
(CHEMBL1812861)
Show SMILES CCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
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>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
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50350324
PNG
(CHEMBL1812862)
Show SMILES CCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C12H14O2/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
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>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
Butyrylcholine esterase


(Homo sapiens (human))
BDBM50350326
PNG
(CHEMBL1812864)
Show SMILES CCCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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>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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50350326
PNG
(CHEMBL1812864)
Show SMILES CCCCCCC(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
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>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