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BDBM50343085 1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)propoxy)phenylsulfonyl)piperidine-4-carboxamide::CHEMBL1771220

SMILES: CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=NVQGQIYFJRAZLX-UHFFFAOYSA-N

Data: 8 KI

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 = 50343085   
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


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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2n/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))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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37n/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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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260n/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
Collagenase


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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370n/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
Collagenase


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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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-7 (MMP7)


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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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
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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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-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