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BDBM50345512 CHEMBL1784367::N-(4-((4-(2-(2,5-dimethylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide::US10322143, Compound 13k

SMILES: Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1

InChI Key: InChIKey=QVHFARCMIMVLSZ-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 = 50345512   
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))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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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))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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n/an/a 5.20E+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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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US Patent
n/an/a 380n/an/an/an/an/an/a



UNIVERSITETET I OSLO

US Patent


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 ...


US Patent US10322143 (2019)

More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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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))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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n/an/a 8.40E+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))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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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-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))
BDBM50345512
PNG
(CHEMBL1784367 | N-(4-((4-(2-(2,5-dimethylpyridin-3...)
Show SMILES Cc1cnc(C)c(CCC2CCN(CC2)S(=O)(=O)CC2(CCOCC2)N(O)C=O)c1
Show InChI InChI=1S/C21H33N3O5S/c1-17-13-20(18(2)22-14-17)4-3-19-5-9-23(10-6-19)30(27,28)15-21(24(26)16-25)7-11-29-12-8-21/h13-14,16,19,26H,3-12,15H2,1-2H3
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n/an/a 380n/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