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SMILES: Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ncn(Cc2ccc(CCC(O)=O)cc2)n1

InChI Key: InChIKey=YZGZXEVXJMDQLK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17185   
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 [T112H]


(Homo sapiens (Human))		BDBM17185
PNG
(3-(4-{[3-(4-{[(2-methylphenyl)carbamoyl]amino}phen...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ncn(Cc2ccc(CCC(O)=O)cc2)n1
Show InChI InChI=1S/C26H25N5O3/c1-18-4-2-3-5-23(18)29-26(34)28-22-13-11-21(12-14-22)25-27-17-31(30-25)16-20-8-6-19(7-9-20)10-15-24(32)33/h2-9,11-14,17H,10,15-16H2,1H3,(H,32,33)(H2,28,29,34)
PDB

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
 501 -8.50n/an/an/an/an/a7.522



GlaxoSmithKline



Assay Description
J6 cells (1 million cells/well) were allowed to coat wheat germ agglutinin coated SPA beads (Amersham, 1 mg/well) in assay buffer. Tritiated 3H Stand...

Bioorg Med Chem Lett 16: 2256-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.025
BindingDB Entry DOI: 10.7270/Q2125QWV
More data for this
Ligand-Target Pair