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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 = 'BDBM50107183'   
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))
BDBM50107183
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-methoxy-4-(2-meth...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1OC
Show InChI InChI=1S/C23H26N2O4S/c1-17(26)24-12-14-25(15-13-24)23(27)11-9-18-8-10-22(20(16-18)29-3)30-21-7-5-4-6-19(21)28-2/h4-11,16H,12-15H2,1-3H3/b11-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.07E+4n/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(10400-11300)


J Med Chem 44: 4393-403 (2001)


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