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PubMed code 17256836

Compile data set for download or QSAR
Found 84 hits of Enzyme Inhibition Constant Data   
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
Collagenase


(homo sapiens (human))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 5n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203538
PNG
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/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/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
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n/an/a 13n/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
Collagenase


(homo sapiens (human))
BDBM50203538
PNG
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/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/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
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n/an/a 13n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/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 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 (ADAM10)


(Homo sapiens (Human))
BDBM50203538
PNG
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/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/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
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n/an/a 23n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 33n/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
Collagenase


(homo sapiens (human))
BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 39n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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
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 (ADAM10)


(Homo sapiens (Human))
BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 59n/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
Collagenase


(homo sapiens (human))
BDBM50203528
PNG
((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/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 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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/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 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 (ADAM10)


(Homo sapiens (Human))
BDBM50203528
PNG
((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/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 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
Collagenase


(Homo sapiens (Human))
BDBM50203538
PNG
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/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/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
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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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203533
PNG
((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
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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n/an/a 92n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50203533
PNG
((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
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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n/an/a 97n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50203530
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1
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n/an/a 110n/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
Collagenase


(Homo sapiens (Human))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 113n/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
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
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 (ADAM10)


(Homo sapiens (Human))
BDBM50203531
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1
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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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203537
PNG
((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 140n/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
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
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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n/an/a 150n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203530
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1
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n/an/a 160n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203528
PNG
((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1
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n/an/a 160n/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
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
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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(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
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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n/an/a 230n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203535
PNG
((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1
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n/an/a 280n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203531
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 300n/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 (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
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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n/an/a 310n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50203537
PNG
((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 320n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50203535
PNG
((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1
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n/an/a 330n/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
Collagenase


(homo sapiens (human))
BDBM50203535
PNG
((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1
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n/an/a 350n/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
Collagenase


(Homo sapiens (Human))
BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 428n/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
Collagenase


(homo sapiens (human))
BDBM50203537
PNG
((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 450n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50203538
PNG
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/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/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
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n/an/a 450n/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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50203536
PNG
((2S,3S)-N-hydroxy-2-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CCCN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C17H23N3O3/c21-16(19-23)14-7-4-9-18-15(14)17(22)20-10-8-13(11-20)12-5-2-1-3-6-12/h1-3,5-6,13-15,18,23H,4,7-11H2,(H,19,21)/t13-,14-,15-/m0/s1
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n/an/a 480n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203536
PNG
((2S,3S)-N-hydroxy-2-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CCCN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C17H23N3O3/c21-16(19-23)14-7-4-9-18-15(14)17(22)20-10-8-13(11-20)12-5-2-1-3-6-12/h1-3,5-6,13-15,18,23H,4,7-11H2,(H,19,21)/t13-,14-,15-/m0/s1
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n/an/a 560n/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
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
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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50082539
PNG
(1-(4-Methoxy-benzenesulfonyl)-piperidine-2-carboxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NO
Show InChI InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
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n/an/a 670n/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 (ADAM10)


(Homo sapiens (Human))
BDBM50203525
PNG
((6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydr...)
Show SMILES CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/m0/s1
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n/an/a 720n/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
Collagenase


(homo sapiens (human))
BDBM50203533
PNG
((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
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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n/an/a 960n/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
Collagenase


(homo sapiens (human))
BDBM50203530
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1
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n/an/a>1.00E+3n/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
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50203525
PNG
((6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydr...)
Show SMILES CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/m0/s1
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n/an/a 1.00E+3n/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
Collagenase


(homo sapiens (human))
BDBM50203532
PNG
((6S,7S)-5-methyl-5-aza-spiro[2.5]octane-6,7-dicarb...)
Show SMILES CCC(C)NC(=O)[C@@H]1[C@H](CC2(CC2)CN1C)C(=O)NO
Show InChI InChI=1S/C14H25N3O3/c1-4-9(2)15-13(19)11-10(12(18)16-20)7-14(5-6-14)8-17(11)3/h9-11,20H,4-8H2,1-3H3,(H,15,19)(H,16,18)/t9?,10-,11-/m0/s1
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n/an/a>1.00E+3n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50203528
PNG
((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1
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n/an/a>1.00E+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))
BDBM50203530
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1
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n/an/a>1.00E+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))
BDBM50203532
PNG
((6S,7S)-5-methyl-5-aza-spiro[2.5]octane-6,7-dicarb...)
Show SMILES CCC(C)NC(=O)[C@@H]1[C@H](CC2(CC2)CN1C)C(=O)NO
Show InChI InChI=1S/C14H25N3O3/c1-4-9(2)15-13(19)11-10(12(18)16-20)7-14(5-6-14)8-17(11)3/h9-11,20H,4-8H2,1-3H3,(H,15,19)(H,16,18)/t9?,10-,11-/m0/s1
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n/an/a>1.00E+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))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 1.20E+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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203538
PNG
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1
Show InChI InChI=1S/C19H23N3O3/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/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1
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n/an/a 2.50E+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
Collagenase


(Homo sapiens (Human))
BDBM50203533
PNG
((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
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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n/an/a>3.00E+3n/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
Stromelysin-1


(Homo sapiens (human))
BDBM50203533
PNG
((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
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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n/an/a>3.00E+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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203526
PNG
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1
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n/an/a 3.90E+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))
BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a 4.00E+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
Collagenase


(Homo sapiens (Human))
BDBM50203525
PNG
((6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydr...)
Show SMILES CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/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 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
Collagenase


(Homo sapiens (Human))
BDBM50203535
PNG
((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/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 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
Collagenase


(Homo sapiens (Human))
BDBM50203532
PNG
((6S,7S)-5-methyl-5-aza-spiro[2.5]octane-6,7-dicarb...)
Show SMILES CCC(C)NC(=O)[C@@H]1[C@H](CC2(CC2)CN1C)C(=O)NO
Show InChI InChI=1S/C14H25N3O3/c1-4-9(2)15-13(19)11-10(12(18)16-20)7-14(5-6-14)8-17(11)3/h9-11,20H,4-8H2,1-3H3,(H,15,19)(H,16,18)/t9?,10-,11-/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 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-1 (MMP1)


(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
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 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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203530
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50203531
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1
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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
Stromelysin-1


(Homo sapiens (human))
BDBM50203524
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methylphenyl)piperazin-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H28N4O3/c1-14-4-2-3-5-16(14)23-8-10-24(11-9-23)19(26)17-15(18(25)22-27)12-20(6-7-20)13-21-17/h2-5,15,17,21,27H,6-13H2,1H3,(H,22,25)/t15-,17-/m0/s1
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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
Collagenase


(homo sapiens (human))
BDBM50203524
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methylphenyl)piperazin-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H28N4O3/c1-14-4-2-3-5-16(14)23-8-10-24(11-9-23)19(26)17-15(18(25)22-27)12-20(6-7-20)13-21-17/h2-5,15,17,21,27H,6-13H2,1H3,(H,22,25)/t15-,17-/m0/s1
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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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203528
PNG
((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1
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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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203532
PNG
((6S,7S)-5-methyl-5-aza-spiro[2.5]octane-6,7-dicarb...)
Show SMILES CCC(C)NC(=O)[C@@H]1[C@H](CC2(CC2)CN1C)C(=O)NO
Show InChI InChI=1S/C14H25N3O3/c1-4-9(2)15-13(19)11-10(12(18)16-20)7-14(5-6-14)8-17(11)3/h9-11,20H,4-8H2,1-3H3,(H,15,19)(H,16,18)/t9?,10-,11-/m0/s1
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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
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
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 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
Stromelysin-1


(Homo sapiens (human))
BDBM50203525
PNG
((6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydr...)
Show SMILES CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/m0/s1
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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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50203524
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methylphenyl)piperazin-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H28N4O3/c1-14-4-2-3-5-16(14)23-8-10-24(11-9-23)19(26)17-15(18(25)22-27)12-20(6-7-20)13-21-17/h2-5,15,17,21,27H,6-13H2,1H3,(H,22,25)/t15-,17-/m0/s1
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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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203531
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1
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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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203533
PNG
((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1
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 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))
BDBM50203535
PNG
((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50203524
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methylphenyl)piperazin-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H28N4O3/c1-14-4-2-3-5-16(14)23-8-10-24(11-9-23)19(26)17-15(18(25)22-27)12-20(6-7-20)13-21-17/h2-5,15,17,21,27H,6-13H2,1H3,(H,22,25)/t15-,17-/m0/s1
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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
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
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 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
Collagenase


(Homo sapiens (Human))
BDBM50203537
PNG
((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50203528
PNG
((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1
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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-1 (MMP1)


(homo sapiens (human))
BDBM50203524
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methylphenyl)piperazin-...)
Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C20H28N4O3/c1-14-4-2-3-5-16(14)23-8-10-24(11-9-23)19(26)17-15(18(25)22-27)12-20(6-7-20)13-21-17/h2-5,15,17,21,27H,6-13H2,1H3,(H,22,25)/t15-,17-/m0/s1
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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))
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
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 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
Matrix metalloproteinase-1 (MMP1)


(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
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 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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203537
PNG
((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1
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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
Collagenase


(Homo sapiens (Human))
BDBM50203530
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)
Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/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 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-1 (MMP1)


(homo sapiens (human))
BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203535
PNG
((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1
Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/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))
BDBM50203537
PNG
((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)
Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/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))
BDBM50203531
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1
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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
Collagenase


(homo sapiens (human))
BDBM50203525
PNG
((6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydr...)
Show SMILES CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/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 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
Collagenase


(homo sapiens (human))
BDBM50203531
PNG
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)
Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O
Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/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 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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50203525
PNG
((6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydr...)
Show SMILES CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/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
* indicates data uncertainty>20%