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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50292700'   
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))
BDBM50292700
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-(trifl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)C(F)(F)F)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C25H23F3N2O5/c1-2-34-23(32)24(13-19(24)22(31)30-33)12-15-7-9-17(10-8-15)35-14-16-11-21(25(26,27)28)29-20-6-4-3-5-18(16)20/h3-11,19,33H,2,12-14H2,1H3,(H,30,31)/t19-,24+/m1/s1
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MMDB

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3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair