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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50084747'   
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))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 27n/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))
BDBM50084747
PNG
(4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)C1CCCCC1
Show InChI InChI=1S/C19H27N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-12-11-21(13-17(22)18(23)20-25)19(24)14-5-3-2-4-6-14/h7-10,14,17,25H,2-6,11-13H2,1H3,(H,20,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 27n/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