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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 5 (ADAMTS-5)' and Ligand = 'BDBM50395678'   
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 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50395678
PNG
(CHEMBL2164122)
Show SMILES C=CCCNc1nc(NCc2csc(n2)-c2cccs2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C30H32N8O2S3/c1-2-3-14-31-28-35-29(32-18-23-20-42-27(34-23)26-11-7-16-41-26)37-30(36-28)38-15-6-10-24(38)19-33-43(39,40)25-13-12-21-8-4-5-9-22(21)17-25/h2,4-5,7-9,11-13,16-17,20,24,33H,1,3,6,10,14-15,18-19H2,(H2,31,32,35,36,37)/t24-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay


J Med Chem 55: 7061-79 (2012)


Article DOI: 10.1021/jm300449x
BindingDB Entry DOI: 10.7270/Q2RX9D6T
More data for this
Ligand-Target Pair