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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin beta-2/Intercellular adhesion molecule 1' and Ligand = 'BDBM50324813'   
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 beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50324813
PNG
((S)-3-amino-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,...)
Show SMILES NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C20H18Cl3N3O4/c21-12-3-1-10(2-4-12)19(28)26-6-5-13-11(9-26)7-14(22)16(17(13)23)18(27)25-15(8-24)20(29)30/h1-4,7,15H,5-6,8-9,24H2,(H,25,27)(H,29,30)/t15-/m0/s1
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Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay

Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair