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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'constant' and Initial = 'h'   
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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433865
PNG
(CHEMBL2380402)
Show SMILES CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1
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4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433878
PNG
(CHEMBL2380389)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C32H40N4O5S2/c1-20(2)16-26(30(39)34-24(29(38)33-3)17-21-10-5-4-6-11-21)43-27-19-35(18-25(27)42)28(37)14-9-15-36-31(40)22-12-7-8-13-23(22)32(36)41/h4-8,10-13,20,24-27,42H,9,14-19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,27-/m0/s1
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6n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433880
PNG
(CHEMBL2380387)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(C)=O |r|
Show InChI InChI=1S/C22H33N3O3S2/c1-14(2)10-19(30-20-13-25(15(3)26)12-18(20)29)22(28)24-17(21(27)23-4)11-16-8-6-5-7-9-16/h5-9,14,17-20,29H,10-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+,19+,20-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433864
PNG
(CHEMBL2380403)
Show SMILES NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H29N3O4S2/c23-14-6-2-5-9-22(26)25-15-20(21(30)16-25)24-31(27,28)19-12-10-18(11-13-19)29-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,30H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433877
PNG
(CHEMBL2380390)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C34H44N4O5S2/c1-22(2)18-28(32(41)36-26(31(40)35-3)19-23-12-6-4-7-13-23)45-29-21-37(20-27(29)44)30(39)16-8-5-11-17-38-33(42)24-14-9-10-15-25(24)34(38)43/h4,6-7,9-10,12-15,22,26-29,44H,5,8,11,16-21H2,1-3H3,(H,35,40)(H,36,41)/t26-,27+,28+,29-/m0/s1
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7n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433871
PNG
(CHEMBL2380396)
Show SMILES S[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m1/s1
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10n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433877
PNG
(CHEMBL2380390)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C34H44N4O5S2/c1-22(2)18-28(32(41)36-26(31(40)35-3)19-23-12-6-4-7-13-23)45-29-21-37(20-27(29)44)30(39)16-8-5-11-17-38-33(42)24-14-9-10-15-25(24)34(38)43/h4,6-7,9-10,12-15,22,26-29,44H,5,8,11,16-21H2,1-3H3,(H,35,40)(H,36,41)/t26-,27+,28+,29-/m0/s1
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11n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433868
PNG
(CHEMBL2380400)
Show SMILES NC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19N3O4S2/c18-17(21)20-10-15(16(25)11-20)19-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,15-16,19,25H,10-11H2,(H2,18,21)/t15-,16-/m0/s1
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11n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433878
PNG
(CHEMBL2380389)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C32H40N4O5S2/c1-20(2)16-26(30(39)34-24(29(38)33-3)17-21-10-5-4-6-11-21)43-27-19-35(18-25(27)42)28(37)14-9-15-36-31(40)22-12-7-8-13-23(22)32(36)41/h4-8,10-13,20,24-27,42H,9,14-19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,27-/m0/s1
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12n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433872
PNG
(CHEMBL2380395)
Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433866
PNG
(CHEMBL2380314)
Show SMILES S[C@H]1CN(C[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C27H26N4O6S2/c32-25-21-8-4-5-9-22(21)26(33)31(25)15-14-28-27(34)30-16-23(24(38)17-30)29-39(35,36)20-12-10-19(11-13-20)37-18-6-2-1-3-7-18/h1-13,23-24,29,38H,14-17H2,(H,28,34)/t23-,24-/m0/s1
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21n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433872
PNG
(CHEMBL2380395)
Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1
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31n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433879
PNG
(CHEMBL2380388)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C30H36N4O5S2/c1-18(2)13-24(28(37)32-22(27(36)31-3)14-19-9-5-4-6-10-19)41-25-16-33(15-23(25)40)26(35)17-34-29(38)20-11-7-8-12-21(20)30(34)39/h4-12,18,22-25,40H,13-17H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+,24+,25-/m0/s1
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50n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433867
PNG
(CHEMBL2380401)
Show SMILES CN([C@H]1CN(C[C@@H]1S)C(N)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H21N3O4S2/c1-20(16-11-21(18(19)22)12-17(16)26)27(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16-17,26H,11-12H2,1H3,(H2,19,22)/t16-,17-/m0/s1
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62n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433875
PNG
(CHEMBL2380392)
Show SMILES S[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m0/s1
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68n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433879
PNG
(CHEMBL2380388)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(=O)CN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C30H36N4O5S2/c1-18(2)13-24(28(37)32-22(27(36)31-3)14-19-9-5-4-6-10-19)41-25-16-33(15-23(25)40)26(35)17-34-29(38)20-11-7-8-12-21(20)30(34)39/h4-12,18,22-25,40H,13-17H2,1-3H3,(H,31,36)(H,32,37)/t22-,23+,24+,25-/m0/s1
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70n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433880
PNG
(CHEMBL2380387)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C[C@H]1S)C(C)=O |r|
Show InChI InChI=1S/C22H33N3O3S2/c1-14(2)10-19(30-20-13-25(15(3)26)12-18(20)29)22(28)24-17(21(27)23-4)11-16-8-6-5-7-9-16/h5-9,14,17-20,29H,10-13H2,1-4H3,(H,23,27)(H,24,28)/t17-,18+,19+,20-/m0/s1
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91n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433881
PNG
(CHEMBL2380406)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S |r|
Show InChI InChI=1S/C20H31N3O2S2/c1-13(2)9-17(27-18-12-22-11-16(18)26)20(25)23-15(19(24)21-3)10-14-7-5-4-6-8-14/h4-8,13,15-18,22,26H,9-12H2,1-3H3,(H,21,24)(H,23,25)/t15-,16+,17+,18-/m0/s1
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230n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433881
PNG
(CHEMBL2380406)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CNC[C@H]1S |r|
Show InChI InChI=1S/C20H31N3O2S2/c1-13(2)9-17(27-18-12-22-11-16(18)26)20(25)23-15(19(24)21-3)10-14-7-5-4-6-8-14/h4-8,13,15-18,22,26H,9-12H2,1-3H3,(H,21,24)(H,23,25)/t15-,16+,17+,18-/m0/s1
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310n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433876
PNG
(CHEMBL2380391)
Show SMILES S[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m1/s1
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410n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433873
PNG
(CHEMBL2380394)
Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H19NO2S2/c19-22(20,18-16-7-4-8-17(16)21)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,21H,4,7-8H2/t16-,17-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433865
PNG
(CHEMBL2380402)
Show SMILES CC(=O)NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433874
PNG
(CHEMBL2380393)
Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C11H15NO2S2/c13-16(14,9-5-2-1-3-6-9)12-10-7-4-8-11(10)15/h1-3,5-6,10-12,15H,4,7-8H2/t10-,11-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433864
PNG
(CHEMBL2380403)
Show SMILES NCCCCCC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H29N3O4S2/c23-14-6-2-5-9-22(26)25-15-20(21(30)16-25)24-31(27,28)19-12-10-18(11-13-19)29-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,30H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433882
PNG
(CHEMBL2380405)
Show SMILES S[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H18N2O3S2/c19-23(20,18-15-10-17-11-16(15)22)14-8-6-13(7-9-14)21-12-4-2-1-3-5-12/h1-9,15-18,22H,10-11H2/t15-,16-/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433869
PNG
(CHEMBL2380398)
Show SMILES S[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H19NO2S/c20-18(19-16-7-4-8-17(16)22)13-9-11-15(12-10-13)21-14-5-2-1-3-6-14/h1-3,5-6,9-12,16-17,22H,4,7-8H2,(H,19,20)/t16-,17-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433866
PNG
(CHEMBL2380314)
Show SMILES S[C@H]1CN(C[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NCCN1C(=O)c2ccccc2C1=O |r|
Show InChI InChI=1S/C27H26N4O6S2/c32-25-21-8-4-5-9-22(21)26(33)31(25)15-14-28-27(34)30-16-23(24(38)17-30)29-39(35,36)20-12-10-19(11-13-20)37-18-6-2-1-3-7-18/h1-13,23-24,29,38H,14-17H2,(H,28,34)/t23-,24-/m0/s1
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>1.20E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433872
PNG
(CHEMBL2380395)
Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433876
PNG
(CHEMBL2380391)
Show SMILES S[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433869
PNG
(CHEMBL2380398)
Show SMILES S[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H19NO2S/c20-18(19-16-7-4-8-17(16)22)13-9-11-15(12-10-13)21-14-5-2-1-3-6-14/h1-3,5-6,9-12,16-17,22H,4,7-8H2,(H,19,20)/t16-,17-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433876
PNG
(CHEMBL2380391)
Show SMILES S[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433883
PNG
(CHEMBL2380399)
Show SMILES S[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H18N2O3S2/c19-23(20,18-15-10-17-11-16(15)22)14-8-6-13(7-9-14)21-12-4-2-1-3-5-12/h1-9,15-18,22H,10-11H2/t15-,16-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433868
PNG
(CHEMBL2380400)
Show SMILES NC(=O)N1C[C@H](S)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19N3O4S2/c18-17(21)20-10-15(16(25)11-20)19-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,15-16,19,25H,10-11H2,(H2,18,21)/t15-,16-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433867
PNG
(CHEMBL2380401)
Show SMILES CN([C@H]1CN(C[C@@H]1S)C(N)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C18H21N3O4S2/c1-20(16-11-21(18(19)22)12-17(16)26)27(23,24)15-9-7-14(8-10-15)25-13-5-3-2-4-6-13/h2-10,16-17,26H,11-12H2,1H3,(H2,19,22)/t16-,17-/m0/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433871
PNG
(CHEMBL2380396)
Show SMILES S[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m1/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433874
PNG
(CHEMBL2380393)
Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C11H15NO2S2/c13-16(14,9-5-2-1-3-6-9)12-10-7-4-8-11(10)15/h1-3,5-6,10-12,15H,4,7-8H2/t10-,11-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433863
PNG
(CHEMBL2380404)
Show SMILES NCCCCCC(=O)N1C[C@H](O)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H29N3O5S/c23-14-6-2-5-9-22(27)25-15-20(21(26)16-25)24-31(28,29)19-12-10-18(11-13-19)30-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,26H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1
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8.50E+4n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433872
PNG
(CHEMBL2380395)
Show SMILES S[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433875
PNG
(CHEMBL2380392)
Show SMILES S[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433863
PNG
(CHEMBL2380404)
Show SMILES NCCCCCC(=O)N1C[C@H](O)[C@H](C1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H29N3O5S/c23-14-6-2-5-9-22(27)25-15-20(21(26)16-25)24-31(28,29)19-12-10-18(11-13-19)30-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21,24,26H,2,5-6,9,14-16,23H2/t20-,21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433876
PNG
(CHEMBL2380391)
Show SMILES S[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO3S2/c19-23(20,18-16-7-4-8-17(16)22)15-11-9-14(10-12-15)21-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-18,22H,4,7-8H2/t16-,17+/m1/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433883
PNG
(CHEMBL2380399)
Show SMILES S[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H18N2O3S2/c19-23(20,18-15-10-17-11-16(15)22)14-8-6-13(7-9-14)21-12-4-2-1-3-5-12/h1-9,15-18,22H,10-11H2/t15-,16-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50433870
PNG
(CHEMBL2380397)
Show SMILES O[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO4S/c19-17-8-4-7-16(17)18-23(20,21)15-11-9-14(10-12-15)22-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-19H,4,7-8H2/t16-,17-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50433870
PNG
(CHEMBL2380397)
Show SMILES O[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C17H19NO4S/c19-17-8-4-7-16(17)18-23(20,21)15-11-9-14(10-12-15)22-13-5-2-1-3-6-13/h1-3,5-6,9-12,16-19H,4,7-8H2/t16-,17-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



Florida State University

Curated by ChEMBL


Assay Description
Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay


J Med Chem 56: 4357-73 (2013)


Article DOI: 10.1021/jm400529f
BindingDB Entry DOI: 10.7270/Q21Z45TX
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50292441
PNG
(1beta-hydroxyaleuritolic acid 3-p-hydroxybenzoate ...)
Show SMILES CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1)OC(=O)c1ccc(O)cc1)C(O)=O |r,t:7|
Show InChI InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27+,28+,29-,34-,35+,36-,37+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50250356
PNG
((+)-protolichesterinic acid | CHEMBL490329 | proto...)
Show SMILES CCCCCCCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17+/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50412092
PNG
(SWERTIFRANCHESIDE)
Show SMILES COc1cc(O)c2c(c1)oc1c(O)cc(c(O)c1c2=O)-c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 |r,wU:24.26,26.29,31.34,wD:29.32,33.37,(-10.05,.93,;-10.05,-.61,;-8.72,-1.38,;-8.72,-2.93,;-7.38,-3.7,;-7.38,-5.24,;-6.05,-2.93,;-6.05,-1.38,;-7.39,-.61,;-4.72,-.6,;-3.38,-1.38,;-2.05,-.61,;-2.06,.93,;-.72,-1.38,;-.72,-2.92,;-2.05,-3.69,;-2.05,-5.23,;-3.38,-2.92,;-4.72,-3.7,;-4.72,-5.24,;.62,-3.69,;.61,-5.23,;-.72,-6,;1.94,-6,;1.94,-7.53,;.6,-8.3,;.6,-9.84,;-.74,-10.6,;-2.07,-9.83,;1.93,-10.61,;1.93,-12.15,;3.27,-9.84,;4.6,-10.62,;3.28,-8.3,;4.61,-7.53,;3.28,-5.23,;4.62,-5.99,;3.26,-3.68,;1.94,-2.92,;1.93,-1.39,;3.26,-.63,;4.58,-1.39,;4.58,-2.92,;5.91,-3.69,;3.26,.9,;4.59,1.67,;4.59,3.21,;3.26,3.98,;3.26,5.52,;1.92,3.21,;.58,3.97,;1.93,1.67,)|
Show InChI InChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1
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n/an/a 5.77E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


J Nat Prod 58: 1024-1031 (1995)


Article DOI: 10.1021/np50121a006
BindingDB Entry DOI: 10.7270/Q2639PR2
More data for this
Ligand-Target Pair