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BDBM50095218 CHEMBL310008::N-Hydroxy-2-[4-(4-trifluoromethoxy-benzyl)-piperidine-1-sulfonyl]-benzamide::N-Hydroxy-2-[4-(4-trifluoromethoxy-phenoxy)-piperidine-1-sulfonyl]-benzamide

SMILES: ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=QZURMXFXKAPVRT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50095218   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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PubMed
n/an/a 33n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2


Bioorg Med Chem Lett 10: 2815-7 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
More data for this
Ligand-Target Pair