BindingDB PrimarySearch

BDBM50003616 2-n-propyl-n-valeric acid::CHEMBL109::DPA::Di-n-propylessigsaeure::VALPROIC ACID::Valproinsaeure::dipropylacetic acid::n-DPA

SMILES: CCCC(CCC)C(O)=O

InChI Key: InChIKey=NIJJYAXOARWZEE-UHFFFAOYSA-N

Data: 5 KI 28 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50003616
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Eisai Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay				Bioorg Med Chem 17: 5219-28 (2009) Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82
Hacettepe University Curated by ChEMBL					More data for this Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 2B7 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
The University of British Columbia Curated by ChEMBL					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Eisai Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	9.15E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VQ33X3
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (BSEP) (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde reductase (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/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
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde reductase (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/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
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde reductase (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/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
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-5 (SIRT5) (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
Technical University of Denmark Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/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
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor VII/tissue factor (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor VII/tissue factor (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/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
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
Broad Institute of Harvard and MIT Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.ejmech.2017.02.053 BindingDB Entry DOI: 10.7270/Q2PR7Z7S
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALR1 in Wistar rat kidney assessed as reduction in NADPH consumption preincubated for 1 min followed by substrate addition measured aft...				Bioorg Med Chem 25: 6353-6360 (2017) Article DOI: 10.1016/j.bmc.2017.10.005 BindingDB Entry DOI: 10.7270/Q23T9KSK
Slovak Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of HADC1 (unknown origin)				J Med Chem 63: 23-39 (2020) Article DOI: 10.1021/acs.jmedchem.9b00924
University of Naples Federico II Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sulfidris s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC in HeLa cells				Bioorg Med Chem Lett 18: 1893-7 (2008) Article DOI: 10.1016/j.bmcl.2008.02.007 BindingDB Entry DOI: 10.7270/Q2SJ1PCV
Sulfidris s.r.l. Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase-related protein 1 (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/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
Slovak Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	n/a	n/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
Quaid-i-Azam University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.24E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hacettepe University Curated by ChEMBL					Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay				Bioorg Med Chem 17: 5219-28 (2009) Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82
Hacettepe University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde reductase (ALR1) (Bos taurus (Cattle))	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	6.2	n/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
COMSATS Institute of Information Technology					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50003616 (2-n-propyl-n-valeric acid \| CHEMBL109 \| DPA \| Di-n...) Show SMILES CCCC(CCC)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/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
Aristotle University of Thessaloniki Curated by ChEMBL					More data for this Ligand-Target Pair