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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-1 (MMP1)' and Ligand = 'BDBM50128634'   
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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50128634
PNG
(1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Show InChI InChI=1S/C21H32N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)21(20(24)22-25)13-15-23(16-14-21)17-7-5-3-2-4-6-8-17/h9-12,17,25H,2-8,13-16H2,1H3,(H,22,24)
PDB
MMDB

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Article
PubMed
n/an/a 2.64E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-1


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair