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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM13092'   
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))
BDBM13092
PNG
(CGS 27023A Analog 20 | N-hydroxy-2-[(2-methylpropy...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C15H24N2O5S/c1-11(2)9-17(10-15(18)16-19)23(20,21)14-7-5-13(6-8-14)22-12(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,16,18)
PDB
MMDB

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Article
PubMed
336 -38.4n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM13092
PNG
(CGS 27023A Analog 20 | N-hydroxy-2-[(2-methylpropy...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C15H24N2O5S/c1-11(2)9-17(10-15(18)16-19)23(20,21)14-7-5-13(6-8-14)22-12(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
339n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair