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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 = 'BDBM50213943'   
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))
BDBM50213943
PNG
(CHEMBL250297 | tert-butyl 3-((4-(but-2-ynyloxy)phe...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)NO |w:15.15|
Show InChI InChI=1S/C22H30N2O7S/c1-5-6-14-30-17-8-10-18(11-9-17)32(28,29)16-22(19(25)23-27)12-7-13-24(15-22)20(26)31-21(2,3)4/h8-11,27H,7,12-16H2,1-4H3,(H,23,25)
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MMDB

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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 17: 4333-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.022
BindingDB Entry DOI: 10.7270/Q2CN73K3
More data for this
Ligand-Target Pair