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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha' and Ligand = 'BDBM50154494'   
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/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154494
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)CCO)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18BrCl2N3O4S/c1-21(11-13-2-4-14(22)5-3-13)19(29)26(17-9-15(23)8-16(24)10-17)20-25-12-18(27(20)21)32(30,31)7-6-28/h2-5,8-10,12,28H,6-7,11H2,1H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 40n/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