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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 = 'BDBM50122456'   
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))
BDBM50122456
PNG
(CHEMBL3622487)
Show SMILES CCN(C(=O)c1ccc(CNc2nc(NC3CCCCC3)nc(n2)N2CCc3cc(OC)c(OC)cc3C2)cc1)c1cccc(C)c1
Show InChI InChI=1S/C37H45N7O3/c1-5-44(31-13-9-10-25(2)20-31)34(45)27-16-14-26(15-17-27)23-38-35-40-36(39-30-11-7-6-8-12-30)42-37(41-35)43-19-18-28-21-32(46-3)33(47-4)22-29(28)24-43/h9-10,13-17,20-22,30H,5-8,11-12,18-19,23-24H2,1-4H3,(H2,38,39,40,41,42)
PDB
MMDB

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n/an/a 284n/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