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SMILES: CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1nc(CC(O)=O)cs1

InChI Key: InChIKey=XNRQBLKIOQTKCL-QFIPXVFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104532   
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))		BDBM50104532
PNG
(CHEMBL84739 | [2-((S)-3-Methyl-1-{2-[4-(3-o-tolyl-...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)c1nc(CC(O)=O)cs1
Show InChI InChI=1S/C26H30N4O4S/c1-16(2)12-22(25-27-20(15-35-25)14-24(32)33)29-23(31)13-18-8-10-19(11-9-18)28-26(34)30-21-7-5-4-6-17(21)3/h4-11,15-16,22H,12-14H2,1-3H3,(H,29,31)(H,32,33)(H2,28,30,34)/t22-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Alpha4-beta1 integrin in Jurkat cells

Bioorg Med Chem Lett 11: 2593-6 (2001)


BindingDB Entry DOI: 10.7270/Q2H41SQZ
More data for this
Ligand-Target Pair