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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50343950'   
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
ADAM17


(Homo sapiens (Human))
BDBM50343950
PNG
((2R,3R)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrroli...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1cccs1 |r|
Show InChI InChI=1S/C25H26N2O4S/c28-22(23(29)25(31)27-14-4-8-20(27)18-6-2-1-3-7-18)24(30)26-16-17-10-12-19(13-11-17)21-9-5-15-32-21/h1-3,5-7,9-13,15,20,22-23,28-29H,4,8,14,16H2,(H,26,30)/t20-,22-,23-/m1/s1
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MMDB

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PC cid
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Article
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 4812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK
More data for this
Ligand-Target Pair