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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50243057'   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50243057
PNG
(CHEMBL4104084)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4c(nccc4o3)C(F)(F)F)C(=O)c2c1 |r|
Show InChI InChI=1S/C21H15F3N4O5/c1-32-11-3-2-10-8-28(17(29)12(10)6-11)9-20(18(30)26-19(31)27-20)15-7-13-14(33-15)4-5-25-16(13)21(22,23)24/h2-7H,8-9H2,1H3,(H2,26,27,30,31)/t20-/m0/s1
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Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain TACE (unknown origin) by FRET assay


Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
BindingDB Entry DOI: 10.7270/Q2319Z8G
More data for this
Ligand-Target Pair