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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50103094'   
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))
BDBM50103094
PNG
((R)-2-[(S)-1-(Formyl-hydroxy-amino)-ethyl]-4-methy...)
Show SMILES CC(C)C[C@H]([C@H](C)N(O)C=O)C(=O)N[C@@H](CC(C)(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H32N4O4S/c1-12(2)9-14(13(3)23(27)11-24)16(25)21-15(10-19(4,5)6)17(26)22-18-20-7-8-28-18/h7-8,11-15,27H,9-10H2,1-6H3,(H,21,25)(H,20,22,26)/t13-,14+,15-/m0/s1
PDB
MMDB

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PC cid
PC sid
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64n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitionof Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 11: 2147-51 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ298V
More data for this
Ligand-Target Pair