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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50025194'   
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))
BDBM50025194
PNG
(CHEMBL3337903)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-16-4-2-3-14(9-16)11-25-22(31)20-27-21(30)19-17(12-35-23(19)28-20)26-18(29)10-13-5-7-15(8-6-13)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0210n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair