BDBM50188524 (S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL39179::Trp-Tyr

SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=TYYLDKGBCJGJGW-WMZOPIPTSA-N

Data: 1 IC50

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 = 50188524   

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))	BDBM50188524 ((S)-2-[(S)-2-Amino-3-(1H-indol-3-yl)-propionylamin...) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H21N3O4/c21-16(10-13-11-22-17-4-2-1-3-15(13)17)19(25)23-18(20(26)27)9-12-5-7-14(24)8-6-12/h1-8,11,16,18,22,24H,9-10,21H2,(H,23,25)(H,26,27)/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells				J Med Chem 49: 3636-44 (2006) Article DOI: 10.1021/jm0511029 BindingDB Entry DOI: 10.7270/Q2P55P9R
					More data for this Ligand-Target Pair