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SMILES: C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCCC(O)C1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=CEPHCBHONKERLG-PIFIWZBESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154504   
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))		BDBM50154504
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCCC(O)C1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O4S/c1-24(12-15-4-6-16(25)7-5-15)22(33)30(19-10-17(26)9-18(27)11-19)23-28-13-21(31(23)24)36(34,35)29-8-2-3-20(32)14-29/h4-7,9-11,13,20,32H,2-3,8,12,14H2,1H3/t20?,24-/m1/s1
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Article
PubMed
n/an/an/a 70n/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