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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Intercellular adhesion molecule 1' and Ligand = 'BDBM50098486'   
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 1


(Homo sapiens (Human))
BDBM50098486
PNG
(4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxyl...)
Show SMILES CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1
Show InChI InChI=1S/C17H16N2O2S2/c1-11-4-6-12(7-5-11)22-15-9-18-10-16-13(15)8-14(23-16)17(20)19(2)21-3/h4-10H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
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Patents


Similars

PubMed
n/an/a 99n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair