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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 = 'BDBM50122452'   
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))
BDBM50122452
PNG
(CHEMBL3622490)
Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C31H34N6O3/c1-5-37(26-8-6-7-21(2)15-26)29(38)23-11-9-22(10-12-23)18-32-30-33-20-34-31(35-30)36-14-13-24-16-27(39-3)28(40-4)17-25(24)19-36/h6-12,15-17,20H,5,13-14,18-19H2,1-4H3,(H,32,33,34,35)
PDB
MMDB

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PubMed
n/an/a 23n/an/an/an/an/an/a



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