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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 = 'BDBM50154493'   
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))
BDBM50154493
PNG
(6-Acetyl-3-(4-bromo-benzyl)-1-(3,5-dichloro-phenyl...)
Show SMILES CC(=O)c1cn2c(n1)N(C(=O)C2(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H16BrCl2N3O2/c1-12(28)18-11-26-20(25-18)27(17-8-15(23)7-16(24)9-17)19(29)21(26,2)10-13-3-5-14(22)6-4-13/h3-9,11H,10H2,1-2H3
PDB

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.62E+3n/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