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BDBM50255845 4-[(4S)-fluoro-1-[2-(2-methylphenylamino)-6-benzoxazolylacetyl]-(2S)-pyrrolidinylmethoxy]benzoic acid::CHEMBL481404

SMILES: Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COc3ccc(cc3)C(O)=O)cc2o1

InChI Key: InChIKey=FBKITRIRLKVKDU-SFTDATJTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255845   
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


(Homo sapiens (Human))		BDBM50255845
PNG
(4-[(4S)-fluoro-1-[2-(2-methylphenylamino)-6-benzox...)
Show SMILES Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COc3ccc(cc3)C(O)=O)cc2o1 |r|
Show InChI InChI=1S/C28H26FN3O5/c1-17-4-2-3-5-23(17)30-28-31-24-11-6-18(12-25(24)37-28)13-26(33)32-15-20(29)14-21(32)16-36-22-9-7-19(8-10-22)27(34)35/h2-12,20-21H,13-16H2,1H3,(H,30,31)(H,34,35)/t20-,21-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of europium labeled human VCAM1 from human VLA4 expressed in CHOK1 cells

Bioorg Med Chem 17: 1232-43 (2009)


Article DOI: 10.1016/j.bmc.2008.12.026
BindingDB Entry DOI: 10.7270/Q2RF5TWD
More data for this
Ligand-Target Pair