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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50084726'   
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))
BDBM50084726
PNG
(4-(Biphenyl-4-carbonyl)-1-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
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PubMed
n/an/a 23n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Binding affinity towards matrix metalloprotease-3


J Med Chem 44: 3849-55 (2001)


BindingDB Entry DOI: 10.7270/Q2ZK5HWX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084726
PNG
(4-(Biphenyl-4-carbonyl)-1-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 23n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 369-80 (2000)


BindingDB Entry DOI: 10.7270/Q2J965M3
More data for this
Ligand-Target Pair