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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50320392'   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50320392
PNG
(CHEMBL1084220 | N-hydroxy-4-(4-(4-(2-methoxyphenyl...)
Show SMILES COc1ccccc1C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O6S/c1-31-22-5-3-2-4-21(22)18-10-14-26(15-11-18)19-6-8-20(9-7-19)33(29,30)24(23(27)25-28)12-16-32-17-13-24/h2-9,18,28H,10-17H2,1H3,(H,25,27)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3557-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.130
BindingDB Entry DOI: 10.7270/Q2CR5TJM
More data for this
Ligand-Target Pair