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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM8466'   
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))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/an/a 43n/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry


Bioorg Med Chem Lett 20: 280-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.114
BindingDB Entry DOI: 10.7270/Q20V8DQN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/a 113n/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Binding affinity to stromelysin-1 catalytic domain


Bioorg Med Chem Lett 20: 280-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.114
BindingDB Entry DOI: 10.7270/Q20V8DQN
More data for this
Ligand-Target Pair