BDBM50090111 (S)-2-Benzylamino-3-phenyl-propionic acid tert-butyl ester::CHEMBL35996

SMILES: CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccccc1

InChI Key: InChIKey=CWPCDNJHWCSWCZ-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 = 50090111   

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))	BDBM50090111 ((S)-2-Benzylamino-3-phenyl-propionic acid tert-but...) Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccccc1 Show InChI InChI=1S/C20H25NO2/c1-20(2,3)23-19(22)18(14-16-10-6-4-7-11-16)21-15-17-12-8-5-9-13-17/h4-13,18,21H,14-15H2,1-3H3/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 Patents Similars	PubMed	n/a	n/a	1.00E+5	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