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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-L' and Ligand = 'BDBM50107159'   
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


(Homo sapiens (Human))
BDBM50107159
PNG
(3-[4-(2,3-Dichloro-phenylsulfanyl)-phenyl]-1-morph...)
Show SMILES Clc1cccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2)c1Cl
Show InChI InChI=1S/C19H17Cl2NO2S/c20-16-2-1-3-17(19(16)21)25-15-7-4-14(5-8-15)6-9-18(23)22-10-12-24-13-11-22/h1-9H,10-13H2/b9-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1


J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair