BDBM50028832 3-methylbutanal::3-methylbutyraldehyde::CHEMBL18360::Isoamyl aldehyde::Isopentaldehyde::Isovaleral::Isovalerylaldehyde::beta-Methylbutanal::iso-C4H9CHO

SMILES: CC(C)CC=O

InChI Key: InChIKey=YGHRJJRRZDOVPD-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 30 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50028832   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50028832 (3-methylbutanal | 3-methylbutyraldehyde | CHEMBL18...) Show SMILES CC(C)CC=O Show InChI InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against phenylethanolamine N-methyltransferase				J Med Chem 24: 7-12 (1981) BindingDB Entry DOI: 10.7270/Q2PK0F59
					More data for this Ligand-Target Pair