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BDBM50203524 (6S,7S)-N-hydroxy-6-{[4-(2-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide::CHEMBL220501

SMILES: Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO

InChI Key: InChIKey=SMNLJWDKCNVQNU-RDJZCZTQSA-N

Data: 5 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 5 hits for monomerid = 50203524   
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
Matrix metalloproteinase-9


(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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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
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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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
Interstitial 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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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
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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n/an/a>5.00E+3n/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
72 kDa type IV 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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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