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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ADAMTS-5 (Aggrecanase-2)' and Ligand = 'BDBM28322'   
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
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28322
PNG
((1R,2S)-1-{[4-(3-methoxyprop-1-yn-1-yl)benzene][2-...)
Show SMILES COCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H28N2O6S/c1-34-18-6-7-20-11-13-22(14-12-20)35(32,33)28(17-16-27-15-5-10-24(27)29)26(25(30)31)19-23(26)21-8-3-2-4-9-21/h2-4,8-9,11-14,23H,5,10,15-19H2,1H3,(H,30,31)/t23-,26+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair