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SMILES: COc1ccc(cc1OC)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O

InChI Key: InChIKey=PMVWESVPNZPORP-SVBPBHIXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105399   
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-1


(Homo sapiens (Human))		BDBM50105399
PNG
((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C31H30N2O7S/c1-39-28-14-13-25(18-29(28)40-2)41(37,38)33-19-24-10-6-5-9-23(24)17-27(33)30(34)32-26(31(35)36)16-20-11-12-21-7-3-4-8-22(21)15-20/h3-15,18,26-27H,16-17,19H2,1-2H3,(H,32,34)(H,35,36)/t26-,27-/m0/s1
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PubMed
n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]VCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells

Bioorg Med Chem Lett 11: 2709-13 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14V4
More data for this
Ligand-Target Pair