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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50332284'   
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
ADAM17


(Homo sapiens (Human))
BDBM50332284
PNG
((R)-5-((3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-5-(...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cnc4nc[nH]c4c3)C(=O)c2c1 |r|
Show InChI InChI=1S/C21H16N6O4/c1-31-14-3-2-13-9-27(18(28)15(13)7-14)10-21(19(29)25-20(30)26-21)5-4-12-6-16-17(22-8-12)24-11-23-16/h2-3,6-8,11H,9-10H2,1H3,(H,22,23,24)(H2,25,26,29,30)/t21-/m1/s1
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MMDB

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Article
PubMed
0.920n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair