BDBM50090116 (S)-2-(2-Methoxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester::CHEMBL36974

SMILES: COc1ccccc1CN[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

InChI Key: InChIKey=WMNZGFVJBRKUSZ-SFHVURJKSA-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 = 50090116   

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
Integrin α4β7 (Homo sapiens (Human))	BDBM50090116 ((S)-2-(2-Methoxy-benzylamino)-3-phenyl-propionic a...) Show SMILES COc1ccccc1CN[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C21H27NO3/c1-21(2,3)25-20(23)18(14-16-10-6-5-7-11-16)22-15-17-12-8-9-13-19(17)24-4/h5-13,18,22H,14-15H2,1-4H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceutical Curated by ChEMBL					Assay Description Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells				Bioorg Med Chem Lett 10: 1497-9 (2000) BindingDB Entry DOI: 10.7270/Q2DN4493
					More data for this Ligand-Target Pair