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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50098514'   
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))		BDBM50098514
PNG
(4-(2,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)c(C)c1
Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-12(10(2)5-9)20-14-7-18-8-15-11(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
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PubMed
n/an/a 43n/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