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SMILES: Cn1cnc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1

InChI Key: InChIKey=HOJGBSXDHZVYRK-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50333908   
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-L/beta-2


(Homo sapiens (Human))		BDBM50333908
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES Cn1cnc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1 |r|
Show InChI InChI=1S/C24H21Cl3N4O4/c1-30-11-16(28-12-30)9-19(24(34)35)29-22(32)20-18(26)8-14-10-31(7-6-17(14)21(20)27)23(33)13-2-4-15(25)5-3-13/h2-5,8,11-12,19H,6-7,9-10H2,1H3,(H,29,32)(H,34,35)/t19-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair