BDBM50136959 2-{[2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino}propanoate::CHEMBL152282

SMILES: CC(NC(=O)C([NH3+])Cc1ccc(O)cc1)C([O-])=O

InChI Key: InChIKey=NLKUJNGEGZDXGO-UHFFFAOYSA-N

Data: 1 KI

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 = 50136959   

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
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50136959 (2-{[2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino}p...) Show SMILES CC(NC(=O)C([NH3+])Cc1ccc(O)cc1)C([O-])=O Show InChI InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition constant (Ki) for human intestinal peptide carrier				J Med Chem 46: 5725-34 (2003) Article DOI: 10.1021/jm030976x BindingDB Entry DOI: 10.7270/Q22N531C
					More data for this Ligand-Target Pair