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SMILES: CC1(Cc2ccc(Br)cc2)C(=O)N(c2nc(I)cn12)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=KLBIIKRAGBFNBO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154500   
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))		BDBM50154500
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-6-iodo-...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nc(I)cn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13BrCl2IN3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)26(18-24-16(23)10-25(18)19)15-7-13(21)6-14(22)8-15/h2-8,10H,9H2,1H3
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Article
PubMed
n/an/an/a>2.00E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay

J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair