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SMILES: CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccccc1F

InChI Key: InChIKey=OLUDOCYETACQGO-SFHVURJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090106   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Integrin alpha-4/beta-7


(Homo sapiens (Human))		BDBM50090106
PNG
((S)-2-(2-Fluoro-benzylamino)-3-phenyl-propionic ac...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NCc1ccccc1F
Show InChI InChI=1S/C20H24FNO2/c1-20(2,3)24-19(23)18(13-15-9-5-4-6-10-15)22-14-16-11-7-8-12-17(16)21/h4-12,18,22H,13-14H2,1-3H3/t18-/m0/s1
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PubMed
n/an/a 1.17E+5n/an/an/an/an/an/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