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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50346802'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50346802
PNG
(CHEMBL1795861)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1CSC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4S3/c1-2-3-4-15-5-7-16(8-6-15)9-10-17-11-12-19(28-17)29(25,26)22-14-27-13-18(22)20(23)21-24/h5-8,11-12,18,24H,2-4,13-14H2,1H3,(H,21,23)/t18-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair