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BDBM50203538 (6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl)-5-aza-spiro[2.5]octane-7-carboxylic acid hydroxyamide::(6S,7S)-N-hydroxy-6-[(3-phenyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide::CHEMBL375418

SMILES: ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1

InChI Key: InChIKey=ZCDHAHOTIYZFKF-HOTGVXAUSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50203538   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 10


(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 |c:18|
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
Binding affinity to ADAM10


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


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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 |c:18|
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 77n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


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


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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 |c:18|
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 77n/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
72 kDa type IV 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 |c:18|
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
Interstitial 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 |c:18|
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
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 |c:18|
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
Binding affinity to MMP3


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


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


(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 |c:18|
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
Receptor tyrosine-protein kinase erbB-2


(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 |c:18|
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
Disintegrin and metalloproteinase domain-containing protein 10


(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 |c:18|
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 in BT474 cells by extracellular domain shedding assay


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


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
72 kDa type IV 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 |c:18|
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
Binding affinity to MMP2


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


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Interstitial 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 |c:18|
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
Binding affinity to MMP1


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


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
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 |c:18|
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