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Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'sang' and Initial = 'x'   
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-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))
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-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-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))
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-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-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-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-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-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))
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))
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))
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))
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))
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
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
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142829
PNG
(US8940736, 391)
Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C
Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)
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n/an/a 0.0300n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142775
PNG
(US8940736, 7)
Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)
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n/an/a 0.0700n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142816
PNG
(US8940736, 281)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
Show InChI InChI=1/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/s2
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n/an/a 0.0900n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142774
PNG
(US8940736, 6)
Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12
Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)
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n/an/a 0.0900n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142792
PNG
(US8940736, 160)
Show SMILES CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C24H25ClN10O2S/c1-38(36,37)18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)
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n/an/a 0.110n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142777
PNG
(US8940736, 49)
Show SMILES Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
Show InChI InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)
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n/an/a 0.110n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
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