BDBM50405613 PHENYLPROPANOLAMINE

SMILES: C[C@@H](N)[C@@H](O)c1ccccc1

InChI Key: InChIKey=DLNKOYKMWOXYQA-VXNVDRBHSA-N

Data: 1 KI

PDB links: 5 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 = 50405613   

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))	BDBM50405613 (PHENYLPROPANOLAMINE) Show SMILES C[C@@H](N)[C@@H](O)c1ccccc1 Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	2.98E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 31: 1984-6 (1988) BindingDB Entry DOI: 10.7270/Q2QF8TFD
					More data for this Ligand-Target Pair