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BDBM50345504 CHEMBL1784360::N-hydroxy-N-(4-((4-(2-methyl-4-(methylsulfonyl)phenethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide::US10322143, Compound 13c

SMILES: Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O

InChI Key: InChIKey=VYEJHVQIVKCLHC-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 = 50345504   
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))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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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-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))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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n/an/a 530n/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))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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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))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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US Patent
n/an/a 5.80n/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))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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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))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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n/an/a 1.70E+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))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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n/an/a 3.30E+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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345504
PNG
(CHEMBL1784360 | N-hydroxy-N-(4-((4-(2-methyl-4-(me...)
Show SMILES Cc1cc(ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C22H34N2O7S2/c1-18-15-21(32(2,27)28)6-5-20(18)4-3-19-7-11-23(12-8-19)33(29,30)16-22(24(26)17-25)9-13-31-14-10-22/h5-6,15,17,19,26H,3-4,7-14,16H2,1-2H3
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n/an/a 5.80n/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