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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 = 'BDBM50441597'   
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))
BDBM50441597
PNG
(CHEMBL2437155)
Show SMILES O=C(Cc1nc(no1)-c1cnccn1)NNC(=S)NCCCCC1CCCCC1
Show InChI InChI=1S/C19H27N7O2S/c27-16(12-17-23-18(26-28-17)15-13-20-10-11-21-15)24-25-19(29)22-9-5-4-8-14-6-2-1-3-7-14/h10-11,13-14H,1-9,12H2,(H,24,27)(H2,22,25,29)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+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