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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50292695'   
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))
BDBM50292695
PNG
((1R,2S)-1-(4-((2-ethylquinolin-4-yl)methoxy)benzyl...)
Show SMILES CCc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H25N3O4/c1-2-17-11-16(19-5-3-4-6-21(19)26-17)14-31-18-9-7-15(8-10-18)12-24(23(25)29)13-20(24)22(28)27-30/h3-11,20,30H,2,12-14H2,1H3,(H2,25,29)(H,27,28)/t20-,24+/m1/s1
PDB
MMDB

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Article
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1n/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