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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 = 'BDBM50122498'   
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))
BDBM50122498
PNG
(CHEMBL3622499)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1nc(NCCN2CCN(C)CC2)nc(NCc2ccc(cc2)C(=O)Nc2cccc(C)c2)n1
Show InChI InChI=1S/C36H45N9O3/c1-25-6-5-7-30(20-25)39-33(46)27-10-8-26(9-11-27)23-38-35-40-34(37-13-15-44-18-16-43(2)17-19-44)41-36(42-35)45-14-12-28-21-31(47-3)32(48-4)22-29(28)24-45/h5-11,20-22H,12-19,23-24H2,1-4H3,(H,39,46)(H2,37,38,40,41,42)
PDB
MMDB

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n/an/a 518n/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