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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50014712   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 2n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146477
PNG
(CHEMBL99045 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
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Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146475
PNG
(CHEMBL98202 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#16]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O5S2/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-33-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-34-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
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Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146480
PNG
(CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)|
Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146473
PNG
(2,2-Dimethyl-propionic acid 4-{2-(formyl-hydroxy-a...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#8]-[#6](=O)C([#6])([#6])[#6])-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C31H37N3O7S/c1-22-17-24(28-7-5-6-8-29(28)32-22)19-40-26-9-11-27(12-10-26)42(38,39)20-25(34(37)21-35)18-23-13-15-33(16-14-23)41-30(36)31(2,3)4/h5-12,17-18,21,25,37H,13-16,19-20H2,1-4H3
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Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146468
PNG
(CHEMBL98852 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2/[#6]-[#6]-[#6](=O)-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C27H28N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-15,18,22,32H,6-9,16-17H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146467
PNG
(CHEMBL99365 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-14,18,20,22,32H,6-9,15-17H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146472
PNG
(CHEMBL318252 | N-Hydroxy-N-{1-(1-isobutyl-piperidi...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/[#6](-[#6]S(=O)(=O)c1ccc(-[#8]-[#6]-c2cc(-[#6])nc3ccccc23)cc1)-[#7](-[#8])-[#6]=O
Show InChI InChI=1S/C30H37N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16-17,21-22,26,35H,12-15,18-20H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146479
PNG
(CHEMBL328645 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(6.8,-4.04,;5.46,-3.27,;5.44,-1.73,;4.11,-.96,;4.09,.58,;5.44,1.35,;6.77,.6,;6.77,-.94,;8.1,-1.71,;9.43,-.93,;9.43,.62,;8.08,1.37,;10.78,-1.69,;11.55,-.36,;10.02,-3.03,;12.11,-2.46,;13.44,-1.69,;13.42,-.16,;12.07,.6,;12.05,2.14,;13.38,2.93,;14.73,2.17,;14.75,.62,;13.37,4.47,;12.02,5.23,;14.78,-2.43,;16.11,-1.64,;14.82,-3.97,;16.15,-4.72,;2.78,-1.73,;1.45,-.96,;.12,-1.75,;.12,-3.29,;1.45,-4.06,;2.78,-3.27,;4.13,-4.04,)|
Show InChI InChI=1S/C26H29N3O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-35-22-10-12-23(13-11-22)36(33,34)16-26(29(32)17-30)19-6-8-21(28-31)9-7-19/h2-5,10-14,17,19,21,26,32H,6-9,15-16H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146478
PNG
(CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...)
Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146471
PNG
(CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146469
PNG
(CHEMBL319782 | N-Hydroxy-N-[2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-34-22-10-12-23(13-11-22)35(32,33)16-26(28(31)17-29)19-6-8-21(30)9-7-19/h2-5,10-14,17,19,26,31H,6-9,15-16H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146470
PNG
(CHEMBL328199 | N-Hydroxy-N-{1-(4-methylene-cyclohe...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=C)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O5S/c1-19-7-9-21(10-8-19)27(29(31)18-30)17-35(32,33)24-13-11-23(12-14-24)34-16-22-15-20(2)28-26-6-4-3-5-25(22)26/h3-6,11-15,18,21,27,31H,1,7-10,16-17H2,2H3
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n/an/a 45n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50146474
PNG
(CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha converting enzyme


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146471
PNG
(CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146471
PNG
(CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146480
PNG
(CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)|
Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3
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n/an/a 330n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146467
PNG
(CHEMBL99365 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-14,18,20,22,32H,6-9,15-17H2,1H3
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n/an/a 350n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146478
PNG
(CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...)
Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3
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n/an/a 350n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146479
PNG
(CHEMBL328645 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(6.8,-4.04,;5.46,-3.27,;5.44,-1.73,;4.11,-.96,;4.09,.58,;5.44,1.35,;6.77,.6,;6.77,-.94,;8.1,-1.71,;9.43,-.93,;9.43,.62,;8.08,1.37,;10.78,-1.69,;11.55,-.36,;10.02,-3.03,;12.11,-2.46,;13.44,-1.69,;13.42,-.16,;12.07,.6,;12.05,2.14,;13.38,2.93,;14.73,2.17,;14.75,.62,;13.37,4.47,;12.02,5.23,;14.78,-2.43,;16.11,-1.64,;14.82,-3.97,;16.15,-4.72,;2.78,-1.73,;1.45,-.96,;.12,-1.75,;.12,-3.29,;1.45,-4.06,;2.78,-3.27,;4.13,-4.04,)|
Show InChI InChI=1S/C26H29N3O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-35-22-10-12-23(13-11-22)36(33,34)16-26(29(32)17-30)19-6-8-21(28-31)9-7-19/h2-5,10-14,17,19,21,26,32H,6-9,15-16H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146480
PNG
(CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)|
Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146473
PNG
(2,2-Dimethyl-propionic acid 4-{2-(formyl-hydroxy-a...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#8]-[#6](=O)C([#6])([#6])[#6])-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C31H37N3O7S/c1-22-17-24(28-7-5-6-8-29(28)32-22)19-40-26-9-11-27(12-10-26)42(38,39)20-25(34(37)21-35)18-23-13-15-33(16-14-23)41-30(36)31(2,3)4/h5-12,17-18,21,25,37H,13-16,19-20H2,1-4H3
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n/an/a 550n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146469
PNG
(CHEMBL319782 | N-Hydroxy-N-[2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-34-22-10-12-23(13-11-22)35(32,33)16-26(28(31)17-29)19-6-8-21(30)9-7-19/h2-5,10-14,17,19,26,31H,6-9,15-16H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146474
PNG
(CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146474
PNG
(CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146467
PNG
(CHEMBL99365 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-14,18,20,22,32H,6-9,15-17H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146478
PNG
(CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...)
Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146473
PNG
(2,2-Dimethyl-propionic acid 4-{2-(formyl-hydroxy-a...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#8]-[#6](=O)C([#6])([#6])[#6])-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C31H37N3O7S/c1-22-17-24(28-7-5-6-8-29(28)32-22)19-40-26-9-11-27(12-10-26)42(38,39)20-25(34(37)21-35)18-23-13-15-33(16-14-23)41-30(36)31(2,3)4/h5-12,17-18,21,25,37H,13-16,19-20H2,1-4H3
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Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146479
PNG
(CHEMBL328645 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(6.8,-4.04,;5.46,-3.27,;5.44,-1.73,;4.11,-.96,;4.09,.58,;5.44,1.35,;6.77,.6,;6.77,-.94,;8.1,-1.71,;9.43,-.93,;9.43,.62,;8.08,1.37,;10.78,-1.69,;11.55,-.36,;10.02,-3.03,;12.11,-2.46,;13.44,-1.69,;13.42,-.16,;12.07,.6,;12.05,2.14,;13.38,2.93,;14.73,2.17,;14.75,.62,;13.37,4.47,;12.02,5.23,;14.78,-2.43,;16.11,-1.64,;14.82,-3.97,;16.15,-4.72,;2.78,-1.73,;1.45,-.96,;.12,-1.75,;.12,-3.29,;1.45,-4.06,;2.78,-3.27,;4.13,-4.04,)|
Show InChI InChI=1S/C26H29N3O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-35-22-10-12-23(13-11-22)36(33,34)16-26(29(32)17-30)19-6-8-21(28-31)9-7-19/h2-5,10-14,17,19,21,26,32H,6-9,15-16H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146469
PNG
(CHEMBL319782 | N-Hydroxy-N-[2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-34-22-10-12-23(13-11-22)35(32,33)16-26(28(31)17-29)19-6-8-21(30)9-7-19/h2-5,10-14,17,19,26,31H,6-9,15-16H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146470
PNG
(CHEMBL328199 | N-Hydroxy-N-{1-(4-methylene-cyclohe...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=C)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O5S/c1-19-7-9-21(10-8-19)27(29(31)18-30)17-35(32,33)24-13-11-23(12-14-24)34-16-22-15-20(2)28-26-6-4-3-5-25(22)26/h3-6,11-15,18,21,27,31H,1,7-10,16-17H2,2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146468
PNG
(CHEMBL98852 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2/[#6]-[#6]-[#6](=O)-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C27H28N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-15,18,22,32H,6-9,16-17H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146477
PNG
(CHEMBL99045 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50146471
PNG
(CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50146467
PNG
(CHEMBL99365 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-14,18,20,22,32H,6-9,15-17H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50146478
PNG
(CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...)
Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146472
PNG
(CHEMBL318252 | N-Hydroxy-N-{1-(1-isobutyl-piperidi...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/[#6](-[#6]S(=O)(=O)c1ccc(-[#8]-[#6]-c2cc(-[#6])nc3ccccc23)cc1)-[#7](-[#8])-[#6]=O
Show InChI InChI=1S/C30H37N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16-17,21-22,26,35H,12-15,18-20H2,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-17


(Homo sapiens (Human))
BDBM50146475
PNG
(CHEMBL98202 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#16]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O5S2/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-33-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-34-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-17


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50146480
PNG
(CHEMBL329967 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(-1.77,-1.66,;-3.1,-.89,;-3.1,.67,;-4.43,1.42,;-4.45,2.96,;-3.12,3.73,;-1.79,2.98,;-1.79,1.44,;-.44,.68,;.89,1.46,;.87,3,;-.46,3.77,;2.22,.69,;2.99,2.03,;1.47,-.64,;3.55,-.08,;4.91,.65,;4.9,2.19,;6.21,3,;6.17,4.53,;7.47,5.34,;8.83,4.62,;8.89,3.08,;7.57,2.26,;10.13,5.44,;11.5,4.71,;6.21,-.15,;7.57,.58,;6.17,-1.69,;7.47,-2.5,;-5.76,.65,;-7.11,1.42,;-8.44,.65,;-8.44,-.89,;-7.09,-1.66,;-5.76,-.89,;-4.43,-1.66,)|
Show InChI InChI=1S/C27H31N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-14,18,20,22-23,33H,6-9,15-17H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146476
PNG
(CHEMBL99995 | N-Hydroxy-N-{1-(4-hydroxyimino-cyclo...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C=C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(15.21,-2.83,;13.88,-2.06,;13.87,-.52,;12.54,.23,;12.53,1.77,;13.84,2.56,;15.19,1.79,;15.19,.26,;16.53,-.5,;17.86,.27,;17.85,1.82,;16.5,2.58,;19.19,-.49,;18.44,-1.83,;19.96,.86,;20.52,-1.26,;21.87,-.52,;21.87,1,;23.18,1.81,;24.55,1.09,;25.86,1.91,;25.81,3.45,;24.44,4.17,;23.13,3.35,;27.11,4.26,;28.47,3.54,;23.19,-1.34,;24.55,-.59,;23.15,-2.87,;24.45,-3.69,;11.21,-.54,;9.87,.23,;8.55,-.54,;8.54,-2.08,;9.88,-2.85,;11.21,-2.08,;12.54,-2.85,)|
Show InChI InChI=1S/C27H29N3O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-36-24-10-12-25(13-11-24)37(34,35)17-23(30(33)18-31)15-20-6-8-22(29-32)9-7-20/h2-5,10-15,18,22-23,33H,6-9,16-17H2,1H3/b20-15-
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n/an/a 5.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50146478
PNG
(CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...)
Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1
Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50146474
PNG
(CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146477
PNG
(CHEMBL99045 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-19-14-21(25-4-2-3-5-26(25)27-19)16-34-23-6-8-24(9-7-23)35(31,32)17-22(28(30)18-29)15-20-10-12-33-13-11-20/h2-9,14-15,18,22,30H,10-13,16-17H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50146474
PNG
(CHEMBL419896 | N-{2-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(CC2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C29H34N2O7S/c1-21-16-23(27-4-2-3-5-28(27)30-21)18-36-25-6-8-26(9-7-25)39(34,35)19-24(31(33)20-32)17-22-10-12-29(13-11-22)37-14-15-38-29/h2-9,16,20,22,24,33H,10-15,17-19H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146470
PNG
(CHEMBL328199 | N-Hydroxy-N-{1-(4-methylene-cyclohe...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=C)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C27H30N2O5S/c1-19-7-9-21(10-8-19)27(29(31)18-30)17-35(32,33)24-13-11-23(12-14-24)34-16-22-15-20(2)28-26-6-4-3-5-25(22)26/h3-6,11-15,18,21,27,31H,1,7-10,16-17H2,2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50146468
PNG
(CHEMBL98852 | N-Hydroxy-N-[2-[4-(2-methyl-quinolin...)
Show SMILES [#6]-c1cc(-[#6]-[#8]-c2ccc(cc2)S(=O)(=O)[#6]-[#6](\[#6]=[#6]-2/[#6]-[#6]-[#6](=O)-[#6]-[#6]-2)-[#7](-[#8])-[#6]=O)c2ccccc2n1
Show InChI InChI=1S/C27H28N2O6S/c1-19-14-21(26-4-2-3-5-27(26)28-19)16-35-24-10-12-25(13-11-24)36(33,34)17-22(29(32)18-30)15-20-6-8-23(31)9-7-20/h2-5,10-15,18,22,32H,6-9,16-17H2,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50146479
PNG
(CHEMBL328645 | N-Hydroxy-N-{1-(4-hydroxyimino-cycl...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(CC2)N=O)N(O)C=O)c2ccccc2n1 |(6.8,-4.04,;5.46,-3.27,;5.44,-1.73,;4.11,-.96,;4.09,.58,;5.44,1.35,;6.77,.6,;6.77,-.94,;8.1,-1.71,;9.43,-.93,;9.43,.62,;8.08,1.37,;10.78,-1.69,;11.55,-.36,;10.02,-3.03,;12.11,-2.46,;13.44,-1.69,;13.42,-.16,;12.07,.6,;12.05,2.14,;13.38,2.93,;14.73,2.17,;14.75,.62,;13.37,4.47,;12.02,5.23,;14.78,-2.43,;16.11,-1.64,;14.82,-3.97,;16.15,-4.72,;2.78,-1.73,;1.45,-.96,;.12,-1.75,;.12,-3.29,;1.45,-4.06,;2.78,-3.27,;4.13,-4.04,)|
Show InChI InChI=1S/C26H29N3O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-35-22-10-12-23(13-11-22)36(33,34)16-26(29(32)17-30)19-6-8-21(28-31)9-7-19/h2-5,10-14,17,19,21,26,32H,6-9,15-16H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50146471
PNG
(CHEMBL431226 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC3(CC2)OCCO3)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C28H32N2O7S/c1-20-16-22(25-4-2-3-5-26(25)29-20)17-35-23-6-8-24(9-7-23)38(33,34)18-27(30(32)19-31)21-10-12-28(13-11-21)36-14-15-37-28/h2-9,16,19,21,27,32H,10-15,17-18H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50146469
PNG
(CHEMBL319782 | N-Hydroxy-N-[2-[4-(2-methyl-quinoli...)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)CC(C2CCC(=O)CC2)N(O)C=O)c2ccccc2n1
Show InChI InChI=1S/C26H28N2O6S/c1-18-14-20(24-4-2-3-5-25(24)27-18)15-34-22-10-12-23(13-11-22)35(32,33)16-26(28(31)17-29)19-6-8-21(30)9-7-19/h2-5,10-14,17,19,26,31H,6-9,15-16H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-13


Bioorg Med Chem Lett 14: 2897-900 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.048
BindingDB Entry DOI: 10.7270/Q27S7N7C
More data for this
Ligand-Target Pair
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