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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50084763'   
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))
BDBM50084763
PNG
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H25N3O7S/c1-17(2,3)27-16(22)19-9-10-20(14(11-19)15(21)18-23)28(24,25)13-7-5-12(26-4)6-8-13/h5-8,14,23H,9-11H2,1-4H3,(H,18,21)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 60n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50084763
PNG
(3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H25N3O7S/c1-17(2,3)27-16(22)19-9-10-20(14(11-19)15(21)18-23)28(24,25)13-7-5-12(26-4)6-8-13/h5-8,14,23H,9-11H2,1-4H3,(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 60.0n/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