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BDBM50131529 3-(4-But-2-ynyloxy-benzenesulfonylamino)-N-hydroxy-propionamide::CHEMBL97762

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NO

InChI Key: InChIKey=LXSYXSGOVAASBA-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50131529   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131529
PNG
(3-(4-But-2-ynyloxy-benzenesulfonylamino)-N-hydroxy...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-2-3-10-20-11-4-6-12(7-5-11)21(18,19)14-9-8-13(16)15-17/h4-7,14,17H,8-10H2,1H3,(H,15,16)
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MMDB

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PubMed
n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotein-9 at 10 uM


Bioorg Med Chem Lett 13: 2799-803 (2003)


BindingDB Entry DOI: 10.7270/Q21N80H7
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50131529
PNG
(3-(4-But-2-ynyloxy-benzenesulfonylamino)-N-hydroxy...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-2-3-10-20-11-4-6-12(7-5-11)21(18,19)14-9-8-13(16)15-17/h4-7,14,17H,8-10H2,1H3,(H,15,16)
PDB
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PubMed
n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotein 1 at 10 uM


Bioorg Med Chem Lett 13: 2799-803 (2003)


BindingDB Entry DOI: 10.7270/Q21N80H7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50131529
PNG
(3-(4-But-2-ynyloxy-benzenesulfonylamino)-N-hydroxy...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-2-3-10-20-11-4-6-12(7-5-11)21(18,19)14-9-8-13(16)15-17/h4-7,14,17H,8-10H2,1H3,(H,15,16)
PDB
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PubMed
n/an/a 145n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of tumor necrosis factor-alpha converting enzyme


Bioorg Med Chem Lett 13: 2799-803 (2003)


BindingDB Entry DOI: 10.7270/Q21N80H7
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50131529
PNG
(3-(4-But-2-ynyloxy-benzenesulfonylamino)-N-hydroxy...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NO
Show InChI InChI=1S/C13H16N2O5S/c1-2-3-10-20-11-4-6-12(7-5-11)21(18,19)14-9-8-13(16)15-17/h4-7,14,17H,8-10H2,1H3,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 37n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotein 13 at 10 uM


Bioorg Med Chem Lett 13: 2799-803 (2003)


BindingDB Entry DOI: 10.7270/Q21N80H7
More data for this
Ligand-Target Pair