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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 = 'BDBM50107180'   
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))
BDBM50107180
PNG
(1-{3-[4-(2-Methoxy-phenylsulfanyl)-2-trifluorometh...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO4S/c1-31-19-4-2-3-5-20(19)32-17-8-6-15(18(14-17)23(24,25)26)7-9-21(28)27-12-10-16(11-13-27)22(29)30/h2-9,14,16H,10-13H2,1H3,(H,29,30)/b9-7+
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 265n/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, range (260-270)


J Med Chem 44: 4393-403 (2001)


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