BDBM50028817 1-octanal::C-8 aldehyde::CHEMBL18407::Caprylaldehyd::Kaprylaldehyd::Octylaldehyd::Oktanal::Oktylaldehyd::aldehyde C-8::caprylaldehyde::caprylic aldehyde::n-caprylaldehyde::n-octaldehyde::n-octanal::n-octyl aldehyde::n-octylal::octanal::octanaldehyde::octanoic aldehyde::octylaldehyde

SMILES: CCCCCCCC=O

InChI Key: InChIKey=NUJGJRNETVAIRJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 4 PDB IDs match 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 1 hit for monomerid = 50028817   

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))	BDBM50028817 (1-octanal | C-8 aldehyde | CHEMBL18407 | Caprylald...) Show SMILES CCCCCCCC=O Show InChI InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.16E+5	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