Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 143.2 BDBM50009834Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) 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)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) 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)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...				J Med Chem 60: 1817-1828 (2017) Article DOI: 10.1021/acs.jmedchem.6b01507 BindingDB Entry DOI: 10.7270/Q2VM4FJN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member A1 (Sus scrofa)	BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) 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)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) 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)/p-1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma"La Sapienza" Curated by ChEMBL					Assay Description Inhibitory concentration against maize histone deacetylase 2				J Med Chem 48: 3344-53 (2005) Article DOI: 10.1021/jm049002a BindingDB Entry DOI: 10.7270/Q2222VKN
					More data for this Ligand-Target Pair
Histone deacetylase 2b (Zea mays)	BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) 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)/p-1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Concentration required for inhibition of histone deacetylase HD2 in vitro.				J Med Chem 47: 1098-109 (2004) Checked by Author Article DOI: 10.1021/jm030990+ BindingDB Entry DOI: 10.7270/Q24X5773
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50009834 (2-Propylvaleric acid sodium salt | CHEMBL433 | Dep...) 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)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate				J Med Chem 34: 1011-8 (1991) Checked by Author BindingDB Entry DOI: 10.7270/Q2NK3FMZ
					More data for this Ligand-Target Pair