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BDBM50345506 CHEMBL1784362::N-hydroxy-N-(4-((4-phenethylpiperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide::US10322143, Compound 13e

SMILES: ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1

InChI Key: InChIKey=AWLKOGZBGNQOBA-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50345506   
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-14 (MMP14)


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 assessed as substrate cleavage after 20 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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n/an/a 670n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 assessed as substrate cleavage after 20 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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US Patent
n/an/a 470n/an/an/an/an/an/a



AstraZeneca



Assay Description
Protein concentrations were measured using the Micro BCA Protein Assay Kit (Pierce/Thermo Scientific, IL). Sample buffer was mixed with 5-25 μg ...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2BC41VN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-1 assessed as substrate cleavage after 20 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-13 assessed as substrate cleavage after 20 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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n/an/a 150n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 assessed as substrate cleavage after 20 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345506
PNG
(CHEMBL1784362 | N-hydroxy-N-(4-((4-phenethylpiperi...)
Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCC(CCc3ccccc3)CC2)CCOCC1
Show InChI InChI=1S/C20H30N2O5S/c23-17-22(24)20(10-14-27-15-11-20)16-28(25,26)21-12-8-19(9-13-21)7-6-18-4-2-1-3-5-18/h1-5,17,19,24H,6-16H2
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n/an/a 470n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay


Bioorg Med Chem Lett 21: 3301-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.028
BindingDB Entry DOI: 10.7270/Q2P55NVH
More data for this
Ligand-Target Pair