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BDBM50345533 CHEMBL1784358::N-(4-((4-(4-chloro-2-methylphenethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide

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

InChI Key: InChIKey=VLNVWKDSFQRXHZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50345533   
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))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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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-14 assessed as substrate cleavage after 20 hrs by fluorescence assay


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

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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n/an/a 65n/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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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n/an/a 1.20E+3n/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)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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n/an/a 1.40E+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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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n/an/a 780n/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)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50345533
PNG
(CHEMBL1784358 | N-(4-((4-(4-chloro-2-methylpheneth...)
Show SMILES Cc1cc(Cl)ccc1CCC1CCN(CC1)S(=O)(=O)CC1(CCOCC1)N(O)C=O
Show InChI InChI=1S/C21H31ClN2O5S/c1-17-14-20(22)5-4-19(17)3-2-18-6-10-23(11-7-18)30(27,28)15-21(24(26)16-25)8-12-29-13-9-21/h4-5,14,16,18,26H,2-3,6-13,15H2,1H3
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n/an/a 2.70n/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)

More data for this
Ligand-Target Pair