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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 = 'BDBM50243060'   
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))
BDBM50243060
PNG
(CHEMBL4088622)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cncc(C)c4o3)C(=O)c2c1 |r|
Show InChI InChI=1S/C21H18N4O5/c1-11-7-22-8-13-5-16(30-17(11)13)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)6-15(12)18(25)26/h3-8H,9-10H2,1-2H3,(H2,23,24,27,28)/t21-/m0/s1
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Similars

Article
PubMed
0.5n/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