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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' and Ligand = 'BDBM50441594'   
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


(Homo sapiens (Human))
BDBM50441594
PNG
(CHEMBL2437145)
Show SMILES SC(CNC(=O)COc1ccc(Cl)cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H21ClN2O3S/c20-15-6-8-16(9-7-15)25-13-18(23)22-12-17(26)19(24)21-11-10-14-4-2-1-3-5-14/h1-9,17,26H,10-13H2,(H,21,24)(H,22,23)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using ARGSVILTV-KPIFEVSPSPL(biotinyl)K as substrate incubated 10 mins prior to substrate addition measured a...


Eur J Med Chem 69: 244-61 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.027
BindingDB Entry DOI: 10.7270/Q2J967TM
More data for this
Ligand-Target Pair