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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50343960'   
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))
BDBM50343960
PNG
((2R,3R)-N-((5-(2-chlorobenzyl)thiophen-2-yl)methyl...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccccc2Cl)s1 |r|
Show InChI InChI=1S/C26H26Cl2N2O4S/c27-18-7-3-6-17(13-18)22-9-4-12-30(22)26(34)24(32)23(31)25(33)29-15-20-11-10-19(35-20)14-16-5-1-2-8-21(16)28/h1-3,5-8,10-11,13,22-24,31-32H,4,9,12,14-15H2,(H,29,33)/t22-,23-,24-/m1/s1
PDB
MMDB

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Article
PubMed
9.30n/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