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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 = 'BDBM50154503'   
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))
BDBM50154503
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES CNCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H23BrCl2N4O3S/c1-23(13-15-4-6-16(24)7-5-15)21(31)29(19-11-17(25)10-18(26)12-19)22-28-14-20(30(22)23)34(32,33)9-3-8-27-2/h4-7,10-12,14,27H,3,8-9,13H2,1-2H3/t23-/m1/s1
PDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 150n/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