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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50028783   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50268906
PNG
((2S,3S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O4/c29-20(27-8-4-5-9-27)15-17-14-19(22(30)25-32)21(24-16-17)23(31)28-12-10-26(11-13-28)18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24,32H,4-5,8-16H2,(H,25,30)/t17?,19-,21-/m0/s1
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n/an/a 8n/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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50269057
PNG
((1S,2S,5S)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)et...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19-,21-,22-/m0/s1
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n/an/a 15n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269057
PNG
((1S,2S,5S)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)et...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19-,21-,22-/m0/s1
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n/an/a 18n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50268906
PNG
((2S,3S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O4/c29-20(27-8-4-5-9-27)15-17-14-19(22(30)25-32)21(24-16-17)23(31)28-12-10-26(11-13-28)18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24,32H,4-5,8-16H2,(H,25,30)/t17?,19-,21-/m0/s1
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n/an/a 19n/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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50269059
PNG
((1S,2S,5S)-N-hydroxy-2-(4-(3-isopropylphenyl)piper...)
Show SMILES CC(C)c1cccc(c1)C1CCN(CC1)C(=O)[C@H]1CC[C@H](CC(=O)N2CCCCC2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C29H43N3O4/c1-20(2)23-7-6-8-24(19-23)22-11-15-32(16-12-22)29(35)25-10-9-21(17-26(25)28(34)30-36)18-27(33)31-13-4-3-5-14-31/h6-8,19-22,25-26,36H,3-5,9-18H2,1-2H3,(H,30,34)/t21-,25-,26-/m0/s1
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n/an/a 21n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268906
PNG
((2S,3S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H33N5O4/c29-20(27-8-4-5-9-27)15-17-14-19(22(30)25-32)21(24-16-17)23(31)28-12-10-26(11-13-28)18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24,32H,4-5,8-16H2,(H,25,30)/t17?,19-,21-/m0/s1
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n/an/a 28n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50269001
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-(4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)CC1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H37N5O4/c1-27-9-11-29(12-10-27)23(31)18-19-7-8-21(22(17-19)24(32)26-34)25(33)30-15-13-28(14-16-30)20-5-3-2-4-6-20/h2-6,19,21-22,34H,7-18H2,1H3,(H,26,32)/t19?,21-,22-/m0/s1
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n/an/a 30n/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
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 (ADAM10)


(Homo sapiens (Human))
BDBM50269000
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)e...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19?,21-,22-/m0/s1
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n/an/a 58n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269000
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)e...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19?,21-,22-/m0/s1
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n/an/a 60n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50268999
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O4/c29-22(27-10-4-5-11-27)17-18-8-9-20(21(16-18)23(30)25-32)24(31)28-14-12-26(13-15-28)19-6-2-1-3-7-19/h1-3,6-7,18,20-21,32H,4-5,8-17H2,(H,25,30)/t18?,20-,21-/m0/s1
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n/an/a 64n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269059
PNG
((1S,2S,5S)-N-hydroxy-2-(4-(3-isopropylphenyl)piper...)
Show SMILES CC(C)c1cccc(c1)C1CCN(CC1)C(=O)[C@H]1CC[C@H](CC(=O)N2CCCCC2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C29H43N3O4/c1-20(2)23-7-6-8-24(19-23)22-11-15-32(16-12-22)29(35)25-10-9-21(17-26(25)28(34)30-36)18-27(33)31-13-4-3-5-14-31/h6-8,19-22,25-26,36H,3-5,9-18H2,1-2H3,(H,30,34)/t21-,25-,26-/m0/s1
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n/an/a 67n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50269001
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-(4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)CC1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H37N5O4/c1-27-9-11-29(12-10-27)23(31)18-19-7-8-21(22(17-19)24(32)26-34)25(33)30-15-13-28(14-16-30)20-5-3-2-4-6-20/h2-6,19,21-22,34H,7-18H2,1H3,(H,26,32)/t19?,21-,22-/m0/s1
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n/an/a 68n/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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50268952
PNG
((2S,3S,5RS)-N-hydroxy-1-methyl-5-(2-oxo-2-(piperid...)
Show SMILES CN1CC(CC(=O)N2CCCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C25H37N5O4/c1-27-18-19(17-22(31)29-10-6-3-7-11-29)16-21(24(32)26-34)23(27)25(33)30-14-12-28(13-15-30)20-8-4-2-5-9-20/h2,4-5,8-9,19,21,23,34H,3,6-7,10-18H2,1H3,(H,26,32)/t19?,21-,23-/m0/s1
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n/an/a 77n/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))
BDBM50268952
PNG
((2S,3S,5RS)-N-hydroxy-1-methyl-5-(2-oxo-2-(piperid...)
Show SMILES CN1CC(CC(=O)N2CCCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C25H37N5O4/c1-27-18-19(17-22(31)29-10-6-3-7-11-29)16-21(24(32)26-34)23(27)25(33)30-14-12-28(13-15-30)20-8-4-2-5-9-20/h2,4-5,8-9,19,21,23,34H,3,6-7,10-18H2,1H3,(H,26,32)/t19?,21-,23-/m0/s1
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n/an/a 81n/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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50269002
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-morpholino-2-oxoethyl)-...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCOCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-22(27-12-14-33-15-13-27)17-18-6-7-20(21(16-18)23(30)25-32)24(31)28-10-8-26(9-11-28)19-4-2-1-3-5-19/h1-5,18,20-21,32H,6-17H2,(H,25,30)/t18?,20-,21-/m0/s1
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n/an/a 83n/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))
BDBM50268951
PNG
((2S,3S,5RS)-N-hydroxy-1-methyl-5-(2-oxo-2-(pyrroli...)
Show SMILES CN1CC(CC(=O)N2CCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C24H35N5O4/c1-26-17-18(16-21(30)28-9-5-6-10-28)15-20(23(31)25-33)22(26)24(32)29-13-11-27(12-14-29)19-7-3-2-4-8-19/h2-4,7-8,18,20,22,33H,5-6,9-17H2,1H3,(H,25,31)/t18?,20-,22-/m0/s1
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n/an/a 92n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268999
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O4/c29-22(27-10-4-5-11-27)17-18-8-9-20(21(16-18)23(30)25-32)24(31)28-14-12-26(13-15-28)19-6-2-1-3-7-19/h1-3,6-7,18,20-21,32H,4-5,8-17H2,(H,25,30)/t18?,20-,21-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269001
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-(4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)CC1CC[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H37N5O4/c1-27-9-11-29(12-10-27)23(31)18-19-7-8-21(22(17-19)24(32)26-34)25(33)30-15-13-28(14-16-30)20-5-3-2-4-6-20/h2-6,19,21-22,34H,7-18H2,1H3,(H,26,32)/t19?,21-,22-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268954
PNG
((5S,6S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-18(21-26)17-14-20(8-9-20)7-6-16(17)19(25)23-12-10-22(11-13-23)15-4-2-1-3-5-15/h1-5,16-17,26H,6-14H2,(H,21,24)/t16-,17-/m0/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50269057
PNG
((1S,2S,5S)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)et...)
Show SMILES ONC(=O)[C@H]1C[C@@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19-,21-,22-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268952
PNG
((2S,3S,5RS)-N-hydroxy-1-methyl-5-(2-oxo-2-(piperid...)
Show SMILES CN1CC(CC(=O)N2CCCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C25H37N5O4/c1-27-18-19(17-22(31)29-10-6-3-7-11-29)16-21(24(32)26-34)23(27)25(33)30-14-12-28(13-15-30)20-8-4-2-5-9-20/h2,4-5,8-9,19,21,23,34H,3,6-7,10-18H2,1H3,(H,26,32)/t19?,21-,23-/m0/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50268954
PNG
((5S,6S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-18(21-26)17-14-20(8-9-20)7-6-16(17)19(25)23-12-10-22(11-13-23)15-4-2-1-3-5-15/h1-5,16-17,26H,6-14H2,(H,21,24)/t16-,17-/m0/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50269056
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidi...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-19-8-9-28(16-19)22(30)15-17-6-7-20(21(14-17)23(31)25-33)24(32)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-5,17,19-21,29,33H,6-16H2,(H,25,31)/t17?,19-,20+,21+/m1/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(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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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268904
PNG
(CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/m0/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50203534
PNG
((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H28N4O3/c1-22-14-20(7-8-20)13-16(18(25)21-27)17(22)19(26)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50269056
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidi...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-19-8-9-28(16-19)22(30)15-17-6-7-20(21(14-17)23(31)25-33)24(32)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-5,17,19-21,29,33H,6-16H2,(H,25,31)/t17?,19-,20+,21+/m1/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50268905
PNG
((2S,3S,5RS)-5-(2-(5-aminopentylamino)-2-oxoethyl)-...)
Show SMILES NCCCCCNC(=O)CC1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C24H37N5O4/c25-10-5-2-6-11-26-21(30)14-17-13-20(23(31)28-33)22(27-15-17)24(32)29-12-9-19(16-29)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-20,22,27,33H,2,5-6,9-16,25H2,(H,26,30)(H,28,31)/t17?,19?,20-,22-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268905
PNG
((2S,3S,5RS)-5-(2-(5-aminopentylamino)-2-oxoethyl)-...)
Show SMILES NCCCCCNC(=O)CC1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C24H37N5O4/c25-10-5-2-6-11-26-21(30)14-17-13-20(23(31)28-33)22(27-15-17)24(32)29-12-9-19(16-29)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-20,22,27,33H,2,5-6,9-16,25H2,(H,26,30)(H,28,31)/t17?,19?,20-,22-/m0/s1
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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 (ADAM10)


(Homo sapiens (Human))
BDBM50269058
PNG
((1S,2S,5R)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)et...)
Show SMILES ONC(=O)[C@H]1C[C@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19-,21+,22+/m1/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50268951
PNG
((2S,3S,5RS)-N-hydroxy-1-methyl-5-(2-oxo-2-(pyrroli...)
Show SMILES CN1CC(CC(=O)N2CCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C24H35N5O4/c1-26-17-18(16-21(30)28-9-5-6-10-28)15-20(23(31)25-33)22(26)24(32)29-13-11-27(12-14-29)19-7-3-2-4-8-19/h2-4,7-8,18,20,22,33H,5-6,9-17H2,1H3,(H,25,31)/t18?,20-,22-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269058
PNG
((1S,2S,5R)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)et...)
Show SMILES ONC(=O)[C@H]1C[C@H](CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19-,21+,22+/m1/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50268953
PNG
((1S,2S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C18H25N3O3/c22-17(19-24)15-8-4-5-9-16(15)18(23)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,19,22)/t15-,16-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268951
PNG
((2S,3S,5RS)-N-hydroxy-1-methyl-5-(2-oxo-2-(pyrroli...)
Show SMILES CN1CC(CC(=O)N2CCCC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C24H35N5O4/c1-26-17-18(16-21(30)28-9-5-6-10-28)15-20(23(31)25-33)22(26)24(32)29-13-11-27(12-14-29)19-7-3-2-4-8-19/h2-4,7-8,18,20,22,33H,5-6,9-17H2,1H3,(H,25,31)/t18?,20-,22-/m0/s1
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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 (ADAM10)


(Homo sapiens (Human))
BDBM50268954
PNG
((5S,6S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-18(21-26)17-14-20(8-9-20)7-6-16(17)19(25)23-12-10-22(11-13-23)15-4-2-1-3-5-15/h1-5,16-17,26H,6-14H2,(H,21,24)/t16-,17-/m0/s1
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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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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269002
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-morpholino-2-oxoethyl)-...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCOCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-22(27-12-14-33-15-13-27)17-18-6-7-20(21(16-18)23(30)25-32)24(31)28-10-8-26(9-11-28)19-4-2-1-3-5-19/h1-5,18,20-21,32H,6-17H2,(H,25,30)/t18?,20-,21-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269056
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidi...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-19-8-9-28(16-19)22(30)15-17-6-7-20(21(14-17)23(31)25-33)24(32)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-5,17,19-21,29,33H,6-16H2,(H,25,31)/t17?,19-,20+,21+/m1/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50203534
PNG
((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H28N4O3/c1-22-14-20(7-8-20)13-16(18(25)21-27)17(22)19(26)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50269002
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-morpholino-2-oxoethyl)-...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCOCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-22(27-12-14-33-15-13-27)17-18-6-7-20(21(16-18)23(30)25-32)24(31)28-10-8-26(9-11-28)19-4-2-1-3-5-19/h1-5,18,20-21,32H,6-17H2,(H,25,30)/t18?,20-,21-/m0/s1
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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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50268999
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-oxo-2-(pyrrolidin-1-yl)...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O4/c29-22(27-10-4-5-11-27)17-18-8-9-20(21(16-18)23(30)25-32)24(31)28-14-12-26(13-15-28)19-6-2-1-3-7-19/h1-3,6-7,18,20-21,32H,4-5,8-17H2,(H,25,30)/t18?,20-,21-/m0/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50268904
PNG
(CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/m0/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50203534
PNG
((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H28N4O3/c1-22-14-20(7-8-20)13-16(18(25)21-27)17(22)19(26)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1
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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))
BDBM50269000
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-oxo-2-(piperidin-1-yl)e...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CCCCC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H36N4O4/c30-23(28-11-5-2-6-12-28)18-19-9-10-21(22(17-19)24(31)26-33)25(32)29-15-13-27(14-16-29)20-7-3-1-4-8-20/h1,3-4,7-8,19,21-22,33H,2,5-6,9-18H2,(H,26,31)/t19?,21-,22-/m0/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50227986
PNG
((6S,7S)-6-(3-phenyl-pyrrolidine-1-carbonyl)-5-aza-...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C19H25N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-5,14-16,20,25H,6-12H2,(H,21,23)/t14?,15-,16-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50227986
PNG
((6S,7S)-6-(3-phenyl-pyrrolidine-1-carbonyl)-5-aza-...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C19H25N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-5,14-16,20,25H,6-12H2,(H,21,23)/t14?,15-,16-/m0/s1
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50268953
PNG
((1S,2S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C18H25N3O3/c22-17(19-24)15-8-4-5-9-16(15)18(23)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,19,22)/t15-,16-/m0/s1
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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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50268954
PNG
((5S,6S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-18(21-26)17-14-20(8-9-20)7-6-16(17)19(25)23-12-10-22(11-13-23)15-4-2-1-3-5-15/h1-5,16-17,26H,6-14H2,(H,21,24)/t16-,17-/m0/s1
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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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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
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