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Compile Data Set for Download or QSAR

Found 18 hits of ic50 for monomerid = 50203529   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 extracellular domain sheddase activity in human BT474 cells after 72 hrs by ELISA


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of Her2 sheddase activity in BT474 cell line


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 118n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM10


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human MMP9


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human MMP3


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human MMP1


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP3


J Med Chem 50: 603-6 (2007)


Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50203529
PNG
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair