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PubMed code 20529685

Compile data set for download or QSAR
Found 70 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))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320424
PNG
(4-(4-(4-(3,5-dimethylpiperazine-1-carbonyl)piperid...)
Show SMILES CC1CN(CC(C)N1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H36N4O6S/c1-17-15-28(16-18(2)25-17)22(29)19-7-11-27(12-8-19)20-3-5-21(6-4-20)35(32,33)24(23(30)26-31)9-13-34-14-10-24/h3-6,17-19,25,31H,7-16H2,1-2H3,(H,26,30)
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n/an/a 4.40n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320435
PNG
(4-(4-(4-(4-(4-fluorophenyl)piperazine-1-carbonyl)p...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN4O6S/c29-22-1-3-23(4-2-22)32-15-17-33(18-16-32)26(34)21-9-13-31(14-10-21)24-5-7-25(8-6-24)40(37,38)28(27(35)30-36)11-19-39-20-12-28/h1-8,21,36H,9-20H2,(H,30,35)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320423
PNG
(4-(4-(4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C29H37N3O8S/c1-38-25-17-21-9-14-32(19-22(21)18-26(25)39-2)27(33)20-7-12-31(13-8-20)23-3-5-24(6-4-23)41(36,37)29(28(34)30-35)10-15-40-16-11-29/h3-6,17-18,20,35H,7-16,19H2,1-2H3,(H,30,34)
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320439
PNG
(CHEMBL1084298 | N-hydroxy-4-(4-(4-(4-(pyrimidin-2-...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C26H34N6O6S/c33-23(31-14-16-32(17-15-31)25-27-10-1-11-28-25)20-6-12-30(13-7-20)21-2-4-22(5-3-21)39(36,37)26(24(34)29-35)8-18-38-19-9-26/h1-5,10-11,20,35H,6-9,12-19H2,(H,29,34)
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320436
PNG
(4-(4-(4-(4-(4-acetylphenyl)piperazine-1-carbonyl)p...)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C30H38N4O7S/c1-22(35)23-2-4-25(5-3-23)33-16-18-34(19-17-33)28(36)24-10-14-32(15-11-24)26-6-8-27(9-7-26)42(39,40)30(29(37)31-38)12-20-41-21-13-30/h2-9,24,38H,10-21H2,1H3,(H,31,37)
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320433
PNG
(4-(4-(4-(4-(2-fluorophenyl)piperazine-1-carbonyl)p...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C28H35FN4O6S/c29-24-3-1-2-4-25(24)32-15-17-33(18-16-32)26(34)21-9-13-31(14-10-21)22-5-7-23(8-6-22)40(37,38)28(27(35)30-36)11-19-39-20-12-28/h1-8,21,36H,9-20H2,(H,30,35)
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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n/an/a 9n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320422
PNG
(CHEMBL1082324 | N-hydroxy-4-(4-(4-(1,2,3,4-tetrahy...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C27H33N3O6S/c31-25(30-16-9-20-3-1-2-4-22(20)19-30)21-10-14-29(15-11-21)23-5-7-24(8-6-23)37(34,35)27(26(32)28-33)12-17-36-18-13-27/h1-8,21,33H,9-19H2,(H,28,32)
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n/an/a 9n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320438
PNG
(CHEMBL1084024 | N-hydroxy-4-(4-(4-(4-(pyridin-2-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C27H35N5O6S/c33-25(32-17-15-31(16-18-32)24-3-1-2-12-28-24)21-8-13-30(14-9-21)22-4-6-23(7-5-22)39(36,37)27(26(34)29-35)10-19-38-20-11-27/h1-7,12,21,35H,8-11,13-20H2,(H,29,34)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320437
PNG
(4-(4-(4-(4-(2,4-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1ccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c(C)c1
Show InChI InChI=1S/C30H40N4O6S/c1-22-3-8-27(23(2)21-22)33-15-17-34(18-16-33)28(35)24-9-13-32(14-10-24)25-4-6-26(7-5-25)41(38,39)30(29(36)31-37)11-19-40-20-12-30/h3-8,21,24,37H,9-20H2,1-2H3,(H,31,36)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320434
PNG
(CHEMBL1083584 | N-hydroxy-4-(4-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C29H38N4O7S/c1-39-26-5-3-2-4-25(26)32-16-18-33(19-17-32)27(34)22-10-14-31(15-11-22)23-6-8-24(9-7-23)41(37,38)29(28(35)30-36)12-20-40-21-13-29/h2-9,22,36H,10-21H2,1H3,(H,30,35)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320426
PNG
(CHEMBL1083291 | cis-4-(4-(4-(3,5-dimethylmorpholin...)
Show SMILES C[C@H]1COC[C@@H](C)N1C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO |r|
Show InChI InChI=1S/C24H35N3O7S/c1-17-15-34-16-18(2)27(17)22(28)19-7-11-26(12-8-19)20-3-5-21(6-4-20)35(31,32)24(23(29)25-30)9-13-33-14-10-24/h3-6,17-19,30H,7-16H2,1-2H3,(H,25,29)/t17-,18+
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320421
PNG
(CHEMBL1083337 | N-benzyl-1-(4-(1-cyclopropyl-4-(hy...)
Show SMILES CN(Cc1ccccc1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CC1)C(=O)NO
Show InChI InChI=1S/C29H38N4O5S/c1-31(21-22-5-3-2-4-6-22)27(34)23-13-17-32(18-14-23)25-9-11-26(12-10-25)39(37,38)29(28(35)30-36)15-19-33(20-16-29)24-7-8-24/h2-6,9-12,23-24,36H,7-8,13-21H2,1H3,(H,30,35)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320430
PNG
(CHEMBL1082314 | N-hydroxy-4-(4-(4-(4-phenethylpipe...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C30H40N4O6S/c35-28(34-20-18-32(19-21-34)15-10-24-4-2-1-3-5-24)25-11-16-33(17-12-25)26-6-8-27(9-7-26)41(38,39)30(29(36)31-37)13-22-40-23-14-30/h1-9,25,37H,10-23H2,(H,31,36)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320420
PNG
(1-(4-(4-(hydroxycarbamoyl)tetrahydro-2H-pyran-4-yl...)
Show SMILES CN(CC#C)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H29N3O6S/c1-3-12-24(2)20(26)17-8-13-25(14-9-17)18-4-6-19(7-5-18)32(29,30)22(21(27)23-28)10-15-31-16-11-22/h1,4-7,17,28H,8-16H2,2H3,(H,23,27)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320441
PNG
(CHEMBL1082645 | N-hydroxy-4-(4-(4-(4-(pyrazin-2-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C26H34N6O6S/c33-24(32-15-13-31(14-16-32)23-19-27-9-10-28-23)20-5-11-30(12-6-20)21-1-3-22(4-2-21)39(36,37)26(25(34)29-35)7-17-38-18-8-26/h1-4,9-10,19-20,35H,5-8,11-18H2,(H,29,34)
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n/an/a 27n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320444
PNG
(1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C
Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320428
PNG
(CHEMBL1082658 | N-hydroxy-4-(4-(4-(4-isopropylpipe...)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H38N4O6S/c1-19(2)27-13-15-29(16-14-27)23(30)20-7-11-28(12-8-20)21-3-5-22(6-4-21)36(33,34)25(24(31)26-32)9-17-35-18-10-25/h3-6,19-20,32H,7-18H2,1-2H3,(H,26,31)
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n/an/a 28n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320440
PNG
(CHEMBL1082789 | N-hydroxy-4-(4-(4-(4-(pyridin-4-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H35N5O6S/c33-25(32-17-15-31(16-18-32)23-5-11-28-12-6-23)21-7-13-30(14-8-21)22-1-3-24(4-2-22)39(36,37)27(26(34)29-35)9-19-38-20-10-27/h1-6,11-12,21,35H,7-10,13-20H2,(H,29,34)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320419
PNG
(CHEMBL1083030 | N-allyl-1-(4-(4-(hydroxycarbamoyl)...)
Show SMILES CN(CC=C)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O6S/c1-3-12-24(2)20(26)17-8-13-25(14-9-17)18-4-6-19(7-5-18)32(29,30)22(21(27)23-28)10-15-31-16-11-22/h3-7,17,28H,1,8-16H2,2H3,(H,23,27)
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n/an/a 35n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320431
PNG
(CHEMBL1083607 | N-hydroxy-4-(4-(4-(4-(2-hydroxyeth...)
Show SMILES OCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H36N4O7S/c29-16-15-26-11-13-28(14-12-26)22(30)19-5-9-27(10-6-19)20-1-3-21(4-2-20)36(33,34)24(23(31)25-32)7-17-35-18-8-24/h1-4,19,29,32H,5-18H2,(H,25,31)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320429
PNG
(CHEMBL1083606 | N-hydroxy-4-(4-(4-(4-(2-methoxyeth...)
Show SMILES COCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H38N4O7S/c1-35-19-16-27-12-14-29(15-13-27)23(30)20-6-10-28(11-7-20)21-2-4-22(5-3-21)37(33,34)25(24(31)26-32)8-17-36-18-9-25/h2-5,20,32H,6-19H2,1H3,(H,26,31)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320425
PNG
(4-(4-(4-(3,5-dimethylpiperazine-1-carbonyl)piperid...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CC(C)NC(C)C1
Show InChI InChI=1S/C27H43N5O6S/c1-20-18-32(19-21(2)28-20)25(33)22-8-12-31(13-9-22)23-4-6-24(7-5-23)39(36,37)27(26(34)29-35)10-14-30(15-11-27)16-17-38-3/h4-7,20-22,28,35H,8-19H2,1-3H3,(H,29,34)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320427
PNG
(4-(4-(4-(4-acetylpiperazine-1-carbonyl)piperidin-1...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H34N4O7S/c1-18(29)26-12-14-28(15-13-26)22(30)19-6-10-27(11-7-19)20-2-4-21(5-3-20)36(33,34)24(23(31)25-32)8-16-35-17-9-24/h2-5,19,32H,6-17H2,1H3,(H,25,31)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320445
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C33H47N5O6S/c1-25-5-4-6-30(26(25)2)37-19-21-38(22-20-37)31(39)27-11-15-36(16-12-27)28-7-9-29(10-8-28)45(42,43)33(32(40)34-41)13-17-35(18-14-33)23-24-44-3/h4-10,27,41H,11-24H2,1-3H3,(H,34,40)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50320432
PNG
(4-(4-(4-(4-(2-(dimethylamino)ethyl)piperazine-1-ca...)
Show SMILES CN(C)CCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C26H41N5O6S/c1-28(2)13-14-29-15-17-31(18-16-29)24(32)21-7-11-30(12-8-21)22-3-5-23(6-4-22)38(35,36)26(25(33)27-34)9-19-37-20-10-26/h3-6,21,34H,7-20H2,1-2H3,(H,27,33)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320445
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C33H47N5O6S/c1-25-5-4-6-30(26(25)2)37-19-21-38(22-20-37)31(39)27-11-15-36(16-12-27)28-7-9-29(10-8-28)45(42,43)33(32(40)34-41)13-17-35(18-14-33)23-24-44-3/h4-10,27,41H,11-24H2,1-3H3,(H,34,40)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50320444
PNG
(1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C
Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320436
PNG
(4-(4-(4-(4-(4-acetylphenyl)piperazine-1-carbonyl)p...)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C30H38N4O7S/c1-22(35)23-2-4-25(5-3-23)33-16-18-34(19-17-33)28(36)24-10-14-32(15-11-24)26-6-8-27(9-7-26)42(39,40)30(29(37)31-38)12-20-41-21-13-30/h2-9,24,38H,10-21H2,1H3,(H,31,37)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320430
PNG
(CHEMBL1082314 | N-hydroxy-4-(4-(4-(4-phenethylpipe...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C30H40N4O6S/c35-28(34-20-18-32(19-21-34)15-10-24-4-2-1-3-5-24)25-11-16-33(17-12-25)26-6-8-27(9-7-26)41(38,39)30(29(36)31-37)13-22-40-23-14-30/h1-9,25,37H,10-23H2,(H,31,36)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320441
PNG
(CHEMBL1082645 | N-hydroxy-4-(4-(4-(4-(pyrazin-2-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C26H34N6O6S/c33-24(32-15-13-31(14-16-32)23-19-27-9-10-28-23)20-5-11-30(12-6-20)21-1-3-22(4-2-21)39(36,37)26(25(34)29-35)7-17-38-18-8-26/h1-4,9-10,19-20,35H,5-8,11-18H2,(H,29,34)
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n/an/a 900n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320433
PNG
(4-(4-(4-(4-(2-fluorophenyl)piperazine-1-carbonyl)p...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C28H35FN4O6S/c29-24-3-1-2-4-25(24)32-15-17-33(18-16-32)26(34)21-9-13-31(14-10-21)22-5-7-23(8-6-22)40(37,38)28(27(35)30-36)11-19-39-20-12-28/h1-8,21,36H,9-20H2,(H,30,35)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320435
PNG
(4-(4-(4-(4-(4-fluorophenyl)piperazine-1-carbonyl)p...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN4O6S/c29-22-1-3-23(4-2-22)32-15-17-33(18-16-32)26(34)21-9-13-31(14-10-21)24-5-7-25(8-6-24)40(37,38)28(27(35)30-36)11-19-39-20-12-28/h1-8,21,36H,9-20H2,(H,30,35)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320439
PNG
(CHEMBL1084298 | N-hydroxy-4-(4-(4-(4-(pyrimidin-2-...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C26H34N6O6S/c33-23(31-14-16-32(17-15-31)25-27-10-1-11-28-25)20-6-12-30(13-7-20)21-2-4-22(5-3-21)39(36,37)26(24(34)29-35)8-18-38-19-9-26/h1-5,10-11,20,35H,6-9,12-19H2,(H,29,34)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320425
PNG
(4-(4-(4-(3,5-dimethylpiperazine-1-carbonyl)piperid...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CC(C)NC(C)C1
Show InChI InChI=1S/C27H43N5O6S/c1-20-18-32(19-21(2)28-20)25(33)22-8-12-31(13-9-22)23-4-6-24(7-5-23)39(36,37)27(26(34)29-35)10-14-30(15-11-27)16-17-38-3/h4-7,20-22,28,35H,8-19H2,1-3H3,(H,29,34)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320440
PNG
(CHEMBL1082789 | N-hydroxy-4-(4-(4-(4-(pyridin-4-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H35N5O6S/c33-25(32-17-15-31(16-18-32)23-5-11-28-12-6-23)21-7-13-30(14-8-21)22-1-3-24(4-2-22)39(36,37)27(26(34)29-35)9-19-38-20-10-27/h1-6,11-12,21,35H,7-10,13-20H2,(H,29,34)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320420
PNG
(1-(4-(4-(hydroxycarbamoyl)tetrahydro-2H-pyran-4-yl...)
Show SMILES CN(CC#C)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H29N3O6S/c1-3-12-24(2)20(26)17-8-13-25(14-9-17)18-4-6-19(7-5-18)32(29,30)22(21(27)23-28)10-15-31-16-11-22/h1,4-7,17,28H,8-16H2,2H3,(H,23,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320422
PNG
(CHEMBL1082324 | N-hydroxy-4-(4-(4-(1,2,3,4-tetrahy...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C27H33N3O6S/c31-25(30-16-9-20-3-1-2-4-22(20)19-30)21-10-14-29(15-11-21)23-5-7-24(8-6-23)37(34,35)27(26(32)28-33)12-17-36-18-13-27/h1-8,21,33H,9-19H2,(H,28,32)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320423
PNG
(4-(4-(4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C29H37N3O8S/c1-38-25-17-21-9-14-32(19-22(21)18-26(25)39-2)27(33)20-7-12-31(13-8-20)23-3-5-24(6-4-23)41(36,37)29(28(34)30-35)10-15-40-16-11-29/h3-6,17-18,20,35H,7-16,19H2,1-2H3,(H,30,34)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320427
PNG
(4-(4-(4-(4-acetylpiperazine-1-carbonyl)piperidin-1...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H34N4O7S/c1-18(29)26-12-14-28(15-13-26)22(30)19-6-10-27(11-7-19)20-2-4-21(5-3-20)36(33,34)24(23(31)25-32)8-16-35-17-9-24/h2-5,19,32H,6-17H2,1H3,(H,25,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320419
PNG
(CHEMBL1083030 | N-allyl-1-(4-(4-(hydroxycarbamoyl)...)
Show SMILES CN(CC=C)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H31N3O6S/c1-3-12-24(2)20(26)17-8-13-25(14-9-17)18-4-6-19(7-5-18)32(29,30)22(21(27)23-28)10-15-31-16-11-22/h3-7,17,28H,1,8-16H2,2H3,(H,23,27)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320421
PNG
(CHEMBL1083337 | N-benzyl-1-(4-(1-cyclopropyl-4-(hy...)
Show SMILES CN(Cc1ccccc1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CC1)C(=O)NO
Show InChI InChI=1S/C29H38N4O5S/c1-31(21-22-5-3-2-4-6-22)27(34)23-13-17-32(18-14-23)25-9-11-26(12-10-25)39(37,38)29(28(35)30-36)15-19-33(20-16-29)24-7-8-24/h2-6,9-12,23-24,36H,7-8,13-21H2,1H3,(H,30,35)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320438
PNG
(CHEMBL1084024 | N-hydroxy-4-(4-(4-(4-(pyridin-2-yl...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C27H35N5O6S/c33-25(32-17-15-31(16-18-32)24-3-1-2-12-28-24)21-8-13-30(14-9-21)22-4-6-23(7-5-22)39(36,37)27(26(34)29-35)10-19-38-20-11-27/h1-7,12,21,35H,8-11,13-20H2,(H,29,34)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320434
PNG
(CHEMBL1083584 | N-hydroxy-4-(4-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C29H38N4O7S/c1-39-26-5-3-2-4-25(26)32-16-18-33(19-17-32)27(34)22-10-14-31(15-11-22)23-6-8-24(9-7-23)41(37,38)29(28(35)30-36)12-20-40-21-13-29/h2-9,22,36H,10-21H2,1H3,(H,30,35)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320428
PNG
(CHEMBL1082658 | N-hydroxy-4-(4-(4-(4-isopropylpipe...)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H38N4O6S/c1-19(2)27-13-15-29(16-14-27)23(30)20-7-11-28(12-8-20)21-3-5-22(6-4-21)36(33,34)25(24(31)26-32)9-17-35-18-10-25/h3-6,19-20,32H,7-18H2,1-2H3,(H,26,31)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320437
PNG
(4-(4-(4-(4-(2,4-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1ccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c(C)c1
Show InChI InChI=1S/C30H40N4O6S/c1-22-3-8-27(23(2)21-22)33-15-17-34(18-16-33)28(35)24-9-13-32(14-10-24)25-4-6-26(7-5-25)41(38,39)30(29(36)31-37)11-19-40-20-12-30/h3-8,21,24,37H,9-20H2,1-2H3,(H,31,36)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320431
PNG
(CHEMBL1083607 | N-hydroxy-4-(4-(4-(4-(2-hydroxyeth...)
Show SMILES OCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H36N4O7S/c29-16-15-26-11-13-28(14-12-26)22(30)19-5-9-27(10-6-19)20-1-3-21(4-2-20)36(33,34)24(23(31)25-32)7-17-35-18-8-24/h1-4,19,29,32H,5-18H2,(H,25,31)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320444
PNG
(1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C
Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
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n/an/a 6.35E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320429
PNG
(CHEMBL1083606 | N-hydroxy-4-(4-(4-(4-(2-methoxyeth...)
Show SMILES COCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C25H38N4O7S/c1-35-19-16-27-12-14-29(15-13-27)23(30)20-6-10-28(11-7-20)21-2-4-22(5-3-21)37(33,34)25(24(31)26-32)8-17-36-18-9-25/h2-5,20,32H,6-19H2,1H3,(H,26,31)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320424
PNG
(4-(4-(4-(3,5-dimethylpiperazine-1-carbonyl)piperid...)
Show SMILES CC1CN(CC(C)N1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H36N4O6S/c1-17-15-28(16-18(2)25-17)22(29)19-7-11-27(12-8-19)20-3-5-21(6-4-20)35(32,33)24(23(30)26-31)9-13-34-14-10-24/h3-6,17-19,25,31H,7-16H2,1-2H3,(H,26,30)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50320444
PNG
(1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C
Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320432
PNG
(4-(4-(4-(4-(2-(dimethylamino)ethyl)piperazine-1-ca...)
Show SMILES CN(C)CCN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C26H41N5O6S/c1-28(2)13-14-29-15-17-31(18-16-29)24(32)21-7-11-30(12-8-21)22-3-5-23(6-4-22)38(35,36)26(25(33)27-34)9-19-37-20-10-26/h3-6,21,34H,7-20H2,1-2H3,(H,27,33)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50320444
PNG
(1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C
Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50320445
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C33H47N5O6S/c1-25-5-4-6-30(26(25)2)37-19-21-38(22-20-37)31(39)27-11-15-36(16-12-27)28-7-9-29(10-8-28)45(42,43)33(32(40)34-41)13-17-35(18-14-33)23-24-44-3/h4-10,27,41H,11-24H2,1-3H3,(H,34,40)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50320443
PNG
(4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbon...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c1C
Show InChI InChI=1S/C30H40N4O6S/c1-22-4-3-5-27(23(22)2)33-16-18-34(19-17-33)28(35)24-10-14-32(15-11-24)25-6-8-26(9-7-25)41(38,39)30(29(36)31-37)12-20-40-21-13-30/h3-9,24,37H,10-21H2,1-2H3,(H,31,36)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50320442
PNG
(CHEMBL1085257 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50320426
PNG
(CHEMBL1083291 | cis-4-(4-(4-(3,5-dimethylmorpholin...)
Show SMILES C[C@H]1COC[C@@H](C)N1C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO |r|
Show InChI InChI=1S/C24H35N3O7S/c1-17-15-34-16-18(2)27(17)22(28)19-7-11-26(12-8-19)20-3-5-21(6-4-20)35(31,32)24(23(29)25-30)9-13-33-14-10-24/h3-6,17-19,30H,7-16H2,1-2H3,(H,25,29)/t17-,18+
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50320444
PNG
(1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C
Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50320444
PNG
(1-cyclopropyl-4-(4-(4-(4-(2,3-dimethylphenyl)piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)c2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)c1C
Show InChI InChI=1S/C33H45N5O5S/c1-24-4-3-5-30(25(24)2)37-20-22-38(23-21-37)31(39)26-12-16-35(17-13-26)28-8-10-29(11-9-28)44(42,43)33(32(40)34-41)14-18-36(19-15-33)27-6-7-27/h3-5,8-11,26-27,41H,6-7,12-23H2,1-2H3,(H,34,40)
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Pfizer Research& Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 20: 3561-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.111
BindingDB Entry DOI: 10.7270/Q28052S4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%