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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L' and Ligand = 'BDBM50107171'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-L


(Homo sapiens (Human))		BDBM50107171
PNG
(1-{3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C22H21Cl2NO4S/c1-29-16-4-2-3-5-17(16)30-18-8-6-14(20(23)21(18)24)7-9-19(26)25-12-10-15(11-13-25)22(27)28/h2-9,15H,10-13H2,1H3,(H,27,28)/b9-7+
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-12)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair