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BDBM50120685 2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin-1-yl]-N-hydroxy-propionamide::CHEMBL359424

SMILES: C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO

InChI Key: InChIKey=MJJPSHCMTYJCDM-PXAZEXFGSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50120685   
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))
BDBM50120685
PNG
(2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
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PubMed
11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50120685
PNG
(2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50120685
PNG
(2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
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335n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))
BDBM50120685
PNG
(2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
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PubMed
n/an/a 97n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Tumor necrosis factor alpha converting enzyme (TACE)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair