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8 similar compounds to monomer 50009834

Compile data set for download or QSAR
Wt: 144.2
BDBM50003616
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Wt: 143.2
BDBM50269966
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Wt: 115.1
BDBM50340060
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Wt: 129.1
BDBM50340063
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Wt: 143.2
BDBM50340066
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Wt: 199.3
BDBM50340068
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Wt: 144.2
BDBM50412192
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Wt: 144.2
BDBM50412193
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50003616,50269966,50340060,50340063,50340066,50340068,50412192,50412193   
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
Solute carrier family 22 member 20


(Mus musculus)
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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6.60E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50412193
PNG
(CHEMBL1162487)
Show SMILES CCCC[C@@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
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6.61E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 20


(Mus musculus)
BDBM50412192
PNG
(CHEMBL1162486)
Show SMILES CCCC[C@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
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6.61E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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5.62E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50412193
PNG
(CHEMBL1162487)
Show SMILES CCCC[C@@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
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5.62E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Mus musculus)
BDBM50412192
PNG
(CHEMBL1162486)
Show SMILES CCCC[C@H](CC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m0/s1
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5.62E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr


J Biol Chem 282: 23841-53 (2007)


Article DOI: 10.1074/jbc.M703467200
BindingDB Entry DOI: 10.7270/Q2W95B35
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50340068
PNG
(CHEMBL1762650 | sodium 2-Buyloctanoate)
Show SMILES CCCCCCC(CCCC)C([O-])=O
Show InChI InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)/p-1
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8.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50340066
PNG
(CHEMBL1762648 | sodium 2-Methylheptanoate)
Show SMILES CCCCCC(C)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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9.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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9.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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9.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50340068
PNG
(CHEMBL1762650 | sodium 2-Buyloctanoate)
Show SMILES CCCCCCC(CCCC)C([O-])=O
Show InChI InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)/p-1
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1.01E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50340063
PNG
(CHEMBL1762645 | sodium 2-Methylhexanoate)
Show SMILES CCCCC(C)C([O-])=O
Show InChI InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1
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1.03E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50340066
PNG
(CHEMBL1762648 | sodium 2-Methylheptanoate)
Show SMILES CCCCCC(C)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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1.10E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50340060
PNG
(CHEMBL12569 | Sodium; 2-methyl-pentanoate | sodium...)
Show SMILES CCCC(C)C([O-])=O
Show InChI InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
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1.13E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50340060
PNG
(CHEMBL12569 | Sodium; 2-methyl-pentanoate | sodium...)
Show SMILES CCCC(C)C([O-])=O
Show InChI InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
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3.10E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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3.63E+5n/an/an/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CES1


Drug Metab Dispos 41: 698-703 (2013)


Article DOI: 10.1124/dmd.112.050252
BindingDB Entry DOI: 10.7270/Q25D8TKW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50340063
PNG
(CHEMBL1762645 | sodium 2-Methylhexanoate)
Show SMILES CCCCC(C)C([O-])=O
Show InChI InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1
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3.80E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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4.50E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50269966
PNG
(2-ethylhexanoate | CHEMBL1762647)
Show SMILES CCCCC(CC)C([O-])=O
Show InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
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4.50E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 21: 2521-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.057
BindingDB Entry DOI: 10.7270/Q2X63N76
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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1.60E+6n/an/an/an/an/an/an/an/a



The University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of AZT glucuronidation by human recombinant UGT2B7


Pharmacol Ther 106: 97-132 (2005)


Article DOI: 10.1016/j.pharmthera.2004.10.013
BindingDB Entry DOI: 10.7270/Q2959HZ9
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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7.90E+6n/an/an/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CES2


Drug Metab Dispos 41: 698-703 (2013)


Article DOI: 10.1124/dmd.112.050252
BindingDB Entry DOI: 10.7270/Q25D8TKW
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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9.15E+6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat kidney ALR1 assessed as reduction in NADPH oxidation using D-glycuronate as substrate by UV-visible spectrophotometric metho...


Eur J Med Chem 130: 328-335 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 1.03E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 1.61E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


ACS Med Chem Lett 2: 39-42 (2011)


Article DOI: 10.1021/ml1001954
BindingDB Entry DOI: 10.7270/Q2TH8NQJ
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 2.00E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotti...


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 5.61E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry


Bioorg Med Chem 21: 869-73 (2013)


Article DOI: 10.1016/j.bmc.2012.12.015
BindingDB Entry DOI: 10.7270/Q22N53KJ
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-5 (SIRT5)


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of SIRT5


J Med Chem 55: 5582-90 (2012)


Article DOI: 10.1021/jm300526r
BindingDB Entry DOI: 10.7270/Q2ZS2XM7
More data for this
Ligand-Target Pair
Aldehyde reductase


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a 5.01E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney AK1A1


J Med Chem 53: 7756-66 (2010)


Article DOI: 10.1021/jm101008m
BindingDB Entry DOI: 10.7270/Q2ZS2WRM
More data for this
Ligand-Target Pair
Aldehyde reductase


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.01E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of rat kidney aldehyde reductase at 0.1 mM after 20 mins by spectrometric analysis


Bioorg Med Chem 18: 2107-14 (2010)


Article DOI: 10.1016/j.bmc.2010.02.010
BindingDB Entry DOI: 10.7270/Q27W6C9M
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair
Aldose reductase-related protein 1


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry


J Med Chem 58: 2649-57 (2015)


Article DOI: 10.1021/jm5015814
BindingDB Entry DOI: 10.7270/Q2WS8VZJ
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.74E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of ALR1 in calf kidney using sodium D-glucoronate as substrate treated with compound for 10 mins prior to substrate addition by UV spectro...


Eur J Med Chem 98: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.011
BindingDB Entry DOI: 10.7270/Q25140X4
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)

More data for this
Ligand-Target Pair
Aldehyde reductase (ALR1)


(Bos taurus (Cattle))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.74E+4n/an/an/an/a6.2n/a



COMSATS Institute of Information Technology



Assay Description
The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each we...


Bioorg Chem 68: 177-186 (2016)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2445K96
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair