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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 = 'BDBM50243044'   
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))
BDBM50243044
PNG
(CHEMBL4091791)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cn4ccsc4n3)C(=O)c2c1 |r|
Show InChI InChI=1S/C18H15N5O4S/c1-27-11-3-2-10-7-23(14(24)12(10)6-11)9-18(15(25)20-16(26)21-18)13-8-22-4-5-28-17(22)19-13/h2-6,8H,7,9H2,1H3,(H2,20,21,25,26)/t18-/m0/s1
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Similars

Article
PubMed
1.30n/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