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BDBM50025188 CHEMBL3337897

SMILES: COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1

InChI Key: InChIKey=GZABBXNLPOOGJA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025188   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50025188
PNG
(CHEMBL3337897)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)11-25-22(31)20-27-21(30)19-15(12-35-23(19)28-20)10-18(29)26-16-7-5-14(6-8-16)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
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00500n/an/an/an/an/an/a



Takeda Pharmaceutical Co., 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