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: 6 KI  40 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 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 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 5 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 4 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aldo-keto reductase family 1 member A1 (Bovine)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	6.2	n/a
TBA									Citation and Details
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Aldo-keto reductase family 1 member A1 (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tissue factor (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Tissue factor (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 3 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 7 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 9 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 6 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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NAD-dependent protein deacylase sirtuin-5, mitochondrial (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aldo-keto reductase family 1 member B7 (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Aldo-keto reductase family 1 member B1 [K65Q] (Bovine)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Bile salt export pump (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rat)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.24E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histone deacetylase 8 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sigma non-opioid intracellular receptor 1 (Guinea pig)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Liver carboxylesterase 1 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		3.63E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		5.64E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2A6 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		9.15E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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UDP-glucuronosyltransferase 2B7 (Human)	BDBM50003616 (Valproinsaeure | dipropylacetic acid | Di-n-propyl...) Show SMILES Show InChI	GoogleScholar	UniChem		1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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