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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50177313'   
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))
BDBM50177313
PNG
(2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzyl]-1,1-d...)
Show SMILES Cc1cc(COc2ccc(CC3C(CCS3(=O)=O)C(=O)NO)cc2)c2ccccc2n1
Show InChI InChI=1S/C23H24N2O5S/c1-15-12-17(19-4-2-3-5-21(19)24-15)14-30-18-8-6-16(7-9-18)13-22-20(23(26)25-27)10-11-31(22,28)29/h2-9,12,20,22,27H,10-11,13-14H2,1H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against TACE


Bioorg Med Chem Lett 16: 1028-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.078
BindingDB Entry DOI: 10.7270/Q26Q1WTM
More data for this
Ligand-Target Pair