BDBM52012 3-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazine-2-carboxylic acid::3-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazinoic acid::3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-pyrazinecarboxylic acid::3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]pyrazine-2-carboxylic acid::3-{[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-2-pyrazinecarboxylic acid::MLS000850300::SMR000456318::cid_2813041

SMILES COc1cc2CCN(C(C)c2cc1OC)C(=O)c1nccnc1C(O)=O

InChI Key InChIKey=XPQDHXJAORRQIH-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 52012   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52012(3-{[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoqu...)
Affinity DataIC50: 1.46E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52012(3-{[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoqu...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52012(3-{[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoqu...)
Affinity DataIC50: 5.74E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM52012(3-{[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoqu...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay