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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 = 'BDBM50154477'   
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))
BDBM50154477
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16BrCl2N3O3S/c1-20(10-12-3-5-13(21)6-4-12)18(27)25(16-8-14(22)7-15(23)9-16)19-24-11-17(26(19)20)30(2,28)29/h3-9,11H,10H2,1-2H3/t20-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 50n/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