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SMILES: ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=VCIBNYPUVKINDS-UHFFFAOYSA-N

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 = 50343084   
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))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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PubMed
1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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410n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-14


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-7


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-1


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair