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PubMed code 21493063

Compile data set for download or QSAR
Found 67 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11885
PNG
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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n/an/a 0.330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343054
PNG
(CHEMBL1770702 | N-hydroxy-4-(4-(3-(4-(trifluoromet...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-4-2-16(3-5-18)20(29)27-12-1-13-35-17-6-8-19(9-7-17)37(32,33)22(21(30)28-31)10-14-34-15-11-22/h2-9,31H,1,10-15H2,(H,27,29)(H,28,30)
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n/an/a 0.660n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343066
PNG
(CHEMBL1770712 | N-hydroxy-4-(4-(4-(4-methoxyphenox...)
Show SMILES COc1ccc(OCCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H29NO8S/c1-29-18-4-6-19(7-5-18)31-14-2-3-15-32-20-8-10-21(11-9-20)33(27,28)23(22(25)24-26)12-16-30-17-13-23/h4-11,26H,2-3,12-17H2,1H3,(H,24,25)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343058
PNG
(4-(4-(3-(4-(dimethylamino)phenyl)-3-oxopropoxy)phe...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O7S/c1-25(2)18-5-3-17(4-6-18)21(26)11-14-32-19-7-9-20(10-8-19)33(29,30)23(22(27)24-28)12-15-31-16-13-23/h3-10,28H,11-16H2,1-2H3,(H,24,27)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11885
PNG
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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n/an/a<1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343064
PNG
(CHEMBL1770710 | N-hydroxy-4-(4-(4-oxo-4-(piperidin...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H30N2O7S/c24-19(23-12-2-1-3-13-23)5-4-14-30-17-6-8-18(9-7-17)31(27,28)21(20(25)22-26)10-15-29-16-11-21/h6-9,26H,1-5,10-16H2,(H,22,25)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11885
PNG
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343053
PNG
(4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H31N3O7S/c1-27(2)19-6-4-18(5-7-19)22(28)25-14-3-15-34-20-8-10-21(11-9-20)35(31,32)24(23(29)26-30)12-16-33-17-13-24/h4-11,30H,3,12-17H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343060
PNG
(4-(4-(4-(4-(dimethylamino)phenylamino)-4-oxobutoxy...)
Show SMILES CN(C)c1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C24H31N3O7S/c1-27(2)19-7-5-18(6-8-19)25-22(28)4-3-15-34-20-9-11-21(12-10-20)35(31,32)24(23(29)26-30)13-16-33-17-14-24/h5-12,30H,3-4,13-17H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11885
PNG
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343065
PNG
(4-(4-(5-(4-(dimethylamino)phenylamino)-5-oxopentyl...)
Show SMILES CN(C)c1ccc(NC(=O)CCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C25H33N3O7S/c1-28(2)20-8-6-19(7-9-20)26-23(29)5-3-4-16-35-21-10-12-22(13-11-21)36(32,33)25(24(30)27-31)14-17-34-18-15-25/h6-13,31H,3-5,14-18H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343065
PNG
(4-(4-(5-(4-(dimethylamino)phenylamino)-5-oxopentyl...)
Show SMILES CN(C)c1ccc(NC(=O)CCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C25H33N3O7S/c1-28(2)20-8-6-19(7-9-20)26-23(29)5-3-4-16-35-21-10-12-22(13-11-21)36(32,33)25(24(30)27-31)14-17-34-18-15-25/h6-13,31H,3-5,14-18H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343065
PNG
(4-(4-(5-(4-(dimethylamino)phenylamino)-5-oxopentyl...)
Show SMILES CN(C)c1ccc(NC(=O)CCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C25H33N3O7S/c1-28(2)20-8-6-19(7-9-20)26-23(29)5-3-4-16-35-21-10-12-22(13-11-21)36(32,33)25(24(30)27-31)14-17-34-18-15-25/h6-13,31H,3-5,14-18H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343066
PNG
(CHEMBL1770712 | N-hydroxy-4-(4-(4-(4-methoxyphenox...)
Show SMILES COc1ccc(OCCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H29NO8S/c1-29-18-4-6-19(7-5-18)31-14-2-3-15-32-20-8-10-21(11-9-20)33(27,28)23(22(25)24-26)12-16-30-17-13-23/h4-11,26H,2-3,12-17H2,1H3,(H,24,25)
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n/an/a 6.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343055
PNG
(4-(4-(3-(2,4-dimethylbenzamido)propoxy)phenylsulfo...)
Show SMILES Cc1ccc(C(=O)NCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c(C)c1
Show InChI InChI=1S/C24H30N2O7S/c1-17-4-9-21(18(2)16-17)22(27)25-12-3-13-33-19-5-7-20(8-6-19)34(30,31)24(23(28)26-29)10-14-32-15-11-24/h4-9,16,29H,3,10-15H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM11885
PNG
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP14


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343050
PNG
(4-(4-(4-(4-(dimethylamino)benzoyl)piperidin-1-yl)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C26H33N3O6S/c1-28(2)21-5-3-19(4-6-21)24(30)20-11-15-29(16-12-20)22-7-9-23(10-8-22)36(33,34)26(25(31)27-32)13-17-35-18-14-26/h3-10,20,32H,11-18H2,1-2H3,(H,27,31)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343057
PNG
(4-(4-(3-(2,2-dimethylpentanamido)propoxy)phenylsul...)
Show SMILES CCCC(C)(C)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H34N2O7S/c1-4-10-21(2,3)19(25)23-13-5-14-31-17-6-8-18(9-7-17)32(28,29)22(20(26)24-27)11-15-30-16-12-22/h6-9,27H,4-5,10-16H2,1-3H3,(H,23,25)(H,24,26)
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n/an/a 8.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50343056
PNG
(4-(4-(3-(cyclohexanecarboxamido)propoxy)phenylsulf...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C22H32N2O7S/c25-20(17-5-2-1-3-6-17)23-13-4-14-31-18-7-9-19(10-8-18)32(28,29)22(21(26)24-27)11-15-30-16-12-22/h7-10,17,27H,1-6,11-16H2,(H,23,25)(H,24,26)
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n/an/a 8.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343060
PNG
(4-(4-(4-(4-(dimethylamino)phenylamino)-4-oxobutoxy...)
Show SMILES CN(C)c1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C24H31N3O7S/c1-27(2)19-7-5-18(6-8-19)25-22(28)4-3-15-34-20-9-11-21(12-10-20)35(31,32)24(23(29)26-30)13-16-33-17-14-24/h5-12,30H,3-4,13-17H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343058
PNG
(4-(4-(3-(4-(dimethylamino)phenyl)-3-oxopropoxy)phe...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O7S/c1-25(2)18-5-3-17(4-6-18)21(26)11-14-32-19-7-9-20(10-8-19)33(29,30)23(22(27)24-28)12-15-31-16-13-23/h3-10,28H,11-16H2,1-2H3,(H,24,27)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343061
PNG
(CHEMBL1770157 | N-hydroxy-4-(4-(4-(4-methoxyphenyl...)
Show SMILES COc1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-6-4-17(5-7-18)24-21(26)3-2-14-33-19-8-10-20(11-9-19)34(29,30)23(22(27)25-28)12-15-32-16-13-23/h4-11,28H,2-3,12-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
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n/an/a 49n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343066
PNG
(CHEMBL1770712 | N-hydroxy-4-(4-(4-(4-methoxyphenox...)
Show SMILES COc1ccc(OCCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C23H29NO8S/c1-29-18-4-6-19(7-5-18)31-14-2-3-15-32-20-8-10-21(11-9-20)33(27,28)23(22(25)24-26)12-16-30-17-13-23/h4-11,26H,2-3,12-17H2,1H3,(H,24,25)
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n/an/a 67n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343060
PNG
(4-(4-(4-(4-(dimethylamino)phenylamino)-4-oxobutoxy...)
Show SMILES CN(C)c1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C24H31N3O7S/c1-27(2)19-7-5-18(6-8-19)25-22(28)4-3-15-34-20-9-11-21(12-10-20)35(31,32)24(23(29)26-30)13-16-33-17-14-24/h5-12,30H,3-4,13-17H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343058
PNG
(4-(4-(3-(4-(dimethylamino)phenyl)-3-oxopropoxy)phe...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O7S/c1-25(2)18-5-3-17(4-6-18)21(26)11-14-32-19-7-9-20(10-8-19)33(29,30)23(22(27)24-28)12-15-31-16-13-23/h3-10,28H,11-16H2,1-2H3,(H,24,27)
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343054
PNG
(CHEMBL1770702 | N-hydroxy-4-(4-(3-(4-(trifluoromet...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-4-2-16(3-5-18)20(29)27-12-1-13-35-17-6-8-19(9-7-17)37(32,33)22(21(30)28-31)10-14-34-15-11-22/h2-9,31H,1,10-15H2,(H,27,29)(H,28,30)
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343064
PNG
(CHEMBL1770710 | N-hydroxy-4-(4-(4-oxo-4-(piperidin...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H30N2O7S/c24-19(23-12-2-1-3-13-23)5-4-14-30-17-6-8-18(9-7-17)31(27,28)21(20(25)22-26)10-15-29-16-11-21/h6-9,26H,1-5,10-16H2,(H,22,25)
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343062
PNG
(CHEMBL1770709 | N-hydroxy-4-(4-(4-oxo-4-(4-(triflu...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-5-3-16(4-6-18)27-20(29)2-1-13-35-17-7-9-19(10-8-17)37(32,33)22(21(30)28-31)11-14-34-15-12-22/h3-10,31H,1-2,11-15H2,(H,27,29)(H,28,30)
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
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n/an/a 270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343054
PNG
(CHEMBL1770702 | N-hydroxy-4-(4-(3-(4-(trifluoromet...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-4-2-16(3-5-18)20(29)27-12-1-13-35-17-6-8-19(9-7-17)37(32,33)22(21(30)28-31)10-14-34-15-11-22/h2-9,31H,1,10-15H2,(H,27,29)(H,28,30)
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n/an/a 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343063
PNG
(CHEMBL1770697 | N-hydroxy-4-(4-(4-(methyl(4-(trifl...)
Show SMILES CN(C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O8S/c1-29(17-4-6-19(7-5-17)37-24(25,26)27)21(30)3-2-14-36-18-8-10-20(11-9-18)38(33,34)23(22(31)28-32)12-15-35-16-13-23/h4-11,32H,2-3,12-16H2,1H3,(H,28,31)
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n/an/a 380n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343057
PNG
(4-(4-(3-(2,2-dimethylpentanamido)propoxy)phenylsul...)
Show SMILES CCCC(C)(C)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H34N2O7S/c1-4-10-21(2,3)19(25)23-13-5-14-31-17-6-8-18(9-7-17)32(28,29)22(20(26)24-27)11-15-30-16-12-22/h6-9,27H,4-5,10-16H2,1-3H3,(H,23,25)(H,24,26)
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n/an/a 450n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343065
PNG
(4-(4-(5-(4-(dimethylamino)phenylamino)-5-oxopentyl...)
Show SMILES CN(C)c1ccc(NC(=O)CCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C25H33N3O7S/c1-28(2)20-8-6-19(7-9-20)26-23(29)5-3-4-16-35-21-10-12-22(13-11-21)36(32,33)25(24(30)27-31)14-17-34-18-15-25/h6-13,31H,3-5,14-18H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 550n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343056
PNG
(4-(4-(3-(cyclohexanecarboxamido)propoxy)phenylsulf...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C22H32N2O7S/c25-20(17-5-2-1-3-6-17)23-13-4-14-31-18-7-9-19(10-8-18)32(28,29)22(21(26)24-27)11-15-30-16-12-22/h7-10,17,27H,1-6,11-16H2,(H,23,25)(H,24,26)
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n/an/a 650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343064
PNG
(CHEMBL1770710 | N-hydroxy-4-(4-(4-oxo-4-(piperidin...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H30N2O7S/c24-19(23-12-2-1-3-13-23)5-4-14-30-17-6-8-18(9-7-17)31(27,28)21(20(25)22-26)10-15-29-16-11-21/h6-9,26H,1-5,10-16H2,(H,22,25)
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n/an/a 670n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343055
PNG
(4-(4-(3-(2,4-dimethylbenzamido)propoxy)phenylsulfo...)
Show SMILES Cc1ccc(C(=O)NCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c(C)c1
Show InChI InChI=1S/C24H30N2O7S/c1-17-4-9-21(18(2)16-17)22(27)25-12-3-13-33-19-5-7-20(8-6-19)34(30,31)24(23(28)26-29)10-14-32-15-11-24/h4-9,16,29H,3,10-15H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343064
PNG
(CHEMBL1770710 | N-hydroxy-4-(4-(4-oxo-4-(piperidin...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H30N2O7S/c24-19(23-12-2-1-3-13-23)5-4-14-30-17-6-8-18(9-7-17)31(27,28)21(20(25)22-26)10-15-29-16-11-21/h6-9,26H,1-5,10-16H2,(H,22,25)
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n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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n/an/a 900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343059
PNG
(4-(4-(4-(4-(dimethylamino)phenyl)-4-oxobutoxy)phen...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H30N2O7S/c1-26(2)19-7-5-18(6-8-19)22(27)4-3-15-33-20-9-11-21(12-10-20)34(30,31)24(23(28)25-29)13-16-32-17-14-24/h5-12,29H,3-4,13-17H2,1-2H3,(H,25,28)
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n/an/a 930n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343055
PNG
(4-(4-(3-(2,4-dimethylbenzamido)propoxy)phenylsulfo...)
Show SMILES Cc1ccc(C(=O)NCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c(C)c1
Show InChI InChI=1S/C24H30N2O7S/c1-17-4-9-21(18(2)16-17)22(27)25-12-3-13-33-19-5-7-20(8-6-19)34(30,31)24(23(28)26-29)10-14-32-15-11-24/h4-9,16,29H,3,10-15H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 940n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343060
PNG
(4-(4-(4-(4-(dimethylamino)phenylamino)-4-oxobutoxy...)
Show SMILES CN(C)c1ccc(NC(=O)CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C24H31N3O7S/c1-27(2)19-7-5-18(6-8-19)25-22(28)4-3-15-34-20-9-11-21(12-10-20)35(31,32)24(23(29)26-30)13-16-33-17-14-24/h5-12,30H,3-4,13-17H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 960n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343053
PNG
(4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H31N3O7S/c1-27(2)19-6-4-18(5-7-19)22(28)25-14-3-15-34-20-8-10-21(11-9-20)35(31,32)24(23(29)26-30)12-16-33-17-13-24/h4-11,30H,3,12-17H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343053
PNG
(4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenyl...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H31N3O7S/c1-27(2)19-6-4-18(5-7-19)22(28)25-14-3-15-34-20-8-10-21(11-9-20)35(31,32)24(23(29)26-30)12-16-33-17-13-24/h4-11,30H,3,12-17H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343051
PNG
(4-(4-(5-(4-(dimethylamino)phenyl)-5-oxopentyloxy)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H32N2O7S/c1-27(2)20-8-6-19(7-9-20)23(28)5-3-4-16-34-21-10-12-22(13-11-21)35(31,32)25(24(29)26-30)14-17-33-18-15-25/h6-13,30H,3-5,14-18H2,1-2H3,(H,26,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343057
PNG
(4-(4-(3-(2,2-dimethylpentanamido)propoxy)phenylsul...)
Show SMILES CCCC(C)(C)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H34N2O7S/c1-4-10-21(2,3)19(25)23-13-5-14-31-17-6-8-18(9-7-17)32(28,29)22(20(26)24-27)11-15-30-16-12-22/h6-9,27H,4-5,10-16H2,1-3H3,(H,23,25)(H,24,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343054
PNG
(CHEMBL1770702 | N-hydroxy-4-(4-(3-(4-(trifluoromet...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-18-4-2-16(3-5-18)20(29)27-12-1-13-35-17-6-8-19(9-7-17)37(32,33)22(21(30)28-31)10-14-34-15-11-22/h2-9,31H,1,10-15H2,(H,27,29)(H,28,30)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343056
PNG
(4-(4-(3-(cyclohexanecarboxamido)propoxy)phenylsulf...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCNC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C22H32N2O7S/c25-20(17-5-2-1-3-6-17)23-13-4-14-31-18-7-9-19(10-8-18)32(28,29)22(21(26)24-27)11-15-30-16-12-22/h7-10,17,27H,1-6,11-16H2,(H,23,25)(H,24,26)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50343050
PNG
(4-(4-(4-(4-(dimethylamino)benzoyl)piperidin-1-yl)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C26H33N3O6S/c1-28(2)21-5-3-19(4-6-21)24(30)20-11-15-29(16-12-20)22-7-9-23(10-8-22)36(33,34)26(25(31)27-32)13-17-35-18-14-26/h3-10,20,32H,11-18H2,1-2H3,(H,27,31)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11885
PNG
(CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...)
Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP1


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50343050
PNG
(4-(4-(4-(4-(dimethylamino)benzoyl)piperidin-1-yl)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C26H33N3O6S/c1-28(2)21-5-3-19(4-6-21)24(30)20-11-15-29(16-12-20)22-7-9-23(10-8-22)36(33,34)26(25(31)27-32)13-17-35-18-14-26/h3-10,20,32H,11-18H2,1-2H3,(H,27,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50343050
PNG
(4-(4-(4-(4-(dimethylamino)benzoyl)piperidin-1-yl)p...)
Show SMILES CN(C)c1ccc(cc1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C26H33N3O6S/c1-28(2)21-5-3-19(4-6-21)24(30)20-11-15-29(16-12-20)22-7-9-23(10-8-22)36(33,34)26(25(31)27-32)13-17-35-18-14-26/h3-10,20,32H,11-18H2,1-2H3,(H,27,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 21: 2823-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.095
BindingDB Entry DOI: 10.7270/Q2CF9QD0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%