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SMILES: COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1nnc(Cc2ccc(CCC(O)=O)cc2)o1

InChI Key: InChIKey=LOGCEVKOOFWDAC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17189   
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))		BDBM17189
PNG
(3-(4-{[5-(3-methoxy-4-{[(2-methylphenyl)carbamoyl]...)
Show SMILES COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1nnc(Cc2ccc(CCC(O)=O)cc2)o1
Show InChI InChI=1S/C27H26N4O5/c1-17-5-3-4-6-21(17)28-27(34)29-22-13-12-20(16-23(22)35-2)26-31-30-24(36-26)15-19-9-7-18(8-10-19)11-14-25(32)33/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,32,33)(H2,28,29,34)
PDB

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3>-8.10n/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