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BDBM50345527 CHEMBL1784353::N-(1-((4-(2-(3,5-dimethylisoxazol-4-yl)ethyl)piperidin-1-ylsulfonyl)methyl)cyclohexyl)-N-hydroxyformamide::US10322143, Compound 14l

SMILES: Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O

InChI Key: InChIKey=CAFLLFZUWQCIHM-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 = 50345527   
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))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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n/an/a>7.50E+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))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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n/an/a 850n/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))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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n/an/a 20n/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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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US Patent
n/an/a 20n/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))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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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
Collagenase 3


(Homo sapiens (Human))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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n/an/a>4.10E+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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50345527
PNG
(CHEMBL1784353 | N-(1-((4-(2-(3,5-dimethylisoxazol-...)
Show SMILES Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCCCC1)N(O)C=O
Show InChI InChI=1S/C20H33N3O5S/c1-16-19(17(2)28-21-16)7-6-18-8-12-22(13-9-18)29(26,27)14-20(23(25)15-24)10-4-3-5-11-20/h15,18,25H,3-14H2,1-2H3
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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