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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50076597'   
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))
BDBM50076597
PNG
((R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-propane...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C[C@H](C)CS
Show InChI InChI=1S/C11H16O3S2/c1-9(7-15)8-16(12,13)11-5-3-10(14-2)4-6-11/h3-6,9,15H,7-8H2,1-2H3/t9-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 475n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 943-8 (1999)


BindingDB Entry DOI: 10.7270/Q2B8578V
More data for this
Ligand-Target Pair