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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)' and Ligand = 'BDBM50122494'   
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50122494
PNG
(CHEMBL3622495)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3ccc(F)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C29H29FN6O/c1-3-36(26-6-4-5-20(2)15-26)27(37)23-9-7-21(8-10-23)17-31-28-32-19-33-29(34-28)35-14-13-22-11-12-25(30)16-24(22)18-35/h4-12,15-16,19H,3,13-14,17-18H2,1-2H3,(H,31,32,33,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...


ACS Med Chem Lett 6: 888-93 (2015)


BindingDB Entry DOI: 10.7270/Q2416ZWQ
More data for this
Ligand-Target Pair