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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/Intercellular adhesion molecule 1' and Ligand = 'BDBM50157433'   
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 alpha-L/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50157433
PNG
(1-(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluor...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1csc(n1)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C25H26F3N3OS2/c1-16(2)19-6-4-5-7-22(19)34-23-9-8-18(14-20(23)25(26,27)28)21-15-33-24(29-21)31-12-10-30(11-13-31)17(3)32/h4-9,14-16H,10-13H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex


Bioorg Med Chem Lett 15: 195-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair