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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50098484'   
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
E-selectin


(Homo sapiens (Human))		BDBM50098484
PNG
(4-Chloro-thieno[2,3-c]pyridine-2-carboxylic acid a...)
Show SMILES NC(=O)c1cc2c(Cl)cncc2s1
Show InChI InChI=1S/C8H5ClN2OS/c9-5-2-11-3-7-4(5)1-6(13-7)8(10)12/h1-3H,(H2,10,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
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n/an/a 250n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expression of Selectin E 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