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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2' and Ligand = 'BDBM50105186'   
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
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens (Human))
BDBM50105186
PNG
(4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1
Show InChI InChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Patents

PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair