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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/beta-2' and Ligand = 'BDBM50107160'   
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/beta-2


(Homo sapiens (Human))		BDBM50107160
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dihydro-benz...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4S/c1-16(30)28-8-10-29(11-9-28)23(31)7-3-17-2-6-22(19(14-17)24(25,26)27)34-18-4-5-20-21(15-18)33-13-12-32-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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PubMed
n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (30-170)

J Med Chem 44: 4393-403 (2001)


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