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BDBM50120694 CHEMBL356975::N-Hydroxy-2-(3-methyl-2-oxo-3-phenyl-pyrrolidin-1-yl)-propionamide

SMILES: C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO

InChI Key: InChIKey=GDUSADXUOJTTQS-YGRLFVJLSA-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 = 50120694   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50120694
PNG
(CHEMBL356975 | N-Hydroxy-2-(3-methyl-2-oxo-3-pheny...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-10(12(17)15-19)16-9-8-14(2,13(16)18)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,17)/t10-,14+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
108n/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))
BDBM50120694
PNG
(CHEMBL356975 | N-Hydroxy-2-(3-methyl-2-oxo-3-pheny...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-10(12(17)15-19)16-9-8-14(2,13(16)18)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,17)/t10-,14+/m1/s1
PDB
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PubMed
221n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50120694
PNG
(CHEMBL356975 | N-Hydroxy-2-(3-methyl-2-oxo-3-pheny...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-10(12(17)15-19)16-9-8-14(2,13(16)18)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,17)/t10-,14+/m1/s1
PDB
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Reactome pathway
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PubMed
242n/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
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))
BDBM50120694
PNG
(CHEMBL356975 | N-Hydroxy-2-(3-methyl-2-oxo-3-pheny...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-10(12(17)15-19)16-9-8-14(2,13(16)18)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,17)/t10-,14+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
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UniChem

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PubMed
n/an/a 2.20E+3n/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