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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 = 'BDBM50441596'   
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))
BDBM50441596
PNG
(CHEMBL2437147)
Show SMILES Clc1ccc(OCC(=O)NNC(=S)N2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H24ClN3O2S/c22-18-6-8-19(9-7-18)27-15-20(26)23-24-21(28)25-12-10-17(11-13-25)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,26)(H,24,28)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.60E+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