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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50074024'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50074024
PNG
((2S,3R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)[C@H](CCCCc1ccccc1)[C@@H](C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)/t16-,20-/m1/s1
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PubMed
500n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3 (MMP-3).


J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50074024
PNG
((2S,3R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)[C@H](CCCCc1ccccc1)[C@@H](C)C(=O)NO
Show InChI InChI=1S/C21H27NO5S/c1-16(21(23)22-24)20(11-7-6-10-17-8-4-3-5-9-17)28(25,26)19-14-12-18(27-2)13-15-19/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,22,23)/t16-,20-/m1/s1
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

Patents


Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3 (MMP-3), stromelysin-1


J Med Chem 42: 541-4 (1999)


Article DOI: 10.1021/jm980567e
BindingDB Entry DOI: 10.7270/Q2VQ31VC
More data for this
Ligand-Target Pair