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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAM17' and Ligand = 'BDBM50309150'   
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))
BDBM50309150
PNG
((2R,3R)-2,3-dihydroxy-4-(2-(3-methoxyphenyl)pyrrol...)
Show SMILES COc1cccc(c1)C1CCCN1C(=O)[C@H](O)[C@@H](O)C(=O)N(C)CCc1cccs1 |r|
Show InChI InChI=1S/C22H28N2O5S/c1-23(12-10-17-8-5-13-30-17)21(27)19(25)20(26)22(28)24-11-4-9-18(24)15-6-3-7-16(14-15)29-2/h3,5-8,13-14,18-20,25-26H,4,9-12H2,1-2H3/t18?,19-,20-/m1/s1
PDB
MMDB

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33n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute Cambridge

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 1189-93 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.004
BindingDB Entry DOI: 10.7270/Q2BK1CFB
More data for this
Ligand-Target Pair