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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 = 'BDBM50243041'   
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))
BDBM50243041
PNG
(CHEMBL4080243)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4cncnc4o3)C(=O)c2c1 |r|
Show InChI InChI=1S/C19H15N5O5/c1-28-12-3-2-10-7-24(16(25)13(10)5-12)8-19(17(26)22-18(27)23-19)14-4-11-6-20-9-21-15(11)29-14/h2-6,9H,7-8H2,1H3,(H2,22,23,26,27)/t19-/m0/s1
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Similars

Article
PubMed
1.60n/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