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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50090114   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50090114
PNG
((S)-2-(4-Methoxy-benzylamino)-3-phenyl-propionic a...)
Show SMILES COc1ccc(CN[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C21H27NO3/c1-21(2,3)25-20(23)19(14-16-8-6-5-7-9-16)22-15-17-10-12-18(24-4)13-11-17/h5-13,19,22H,14-15H2,1-4H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.22E+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