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BDBM50345509 CHEMBL1784349::N-hydroxy-N-(4-((4-(2-(2-methylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide::US10322143, Compound 13h

SMILES: Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O

InChI Key: InChIKey=CCTJPVSDIZDFJW-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 = 50345509   
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))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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Article
PubMed
n/an/a 8.00E+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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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n/an/a 400n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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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-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))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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US Patent
n/an/a 400n/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))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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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))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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n/an/a 2.00E+3n/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))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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n/an/a 3.80E+3n/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 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345509
PNG
(CHEMBL1784349 | N-hydroxy-N-(4-((4-(2-(2-methylpyr...)
Show SMILES Cc1ncccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C20H31N3O5S/c1-17-19(3-2-10-21-17)5-4-18-6-11-22(12-7-18)29(26,27)15-20(23(25)16-24)8-13-28-14-9-20/h2-3,10,16,18,25H,4-9,11-15H2,1H3
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n/an/a 5.40E+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