BDBM44818 2,3-bis(oxidanyl)butanedioic acid;4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol::2,3-dihydroxybutanedioic acid;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol::4-[(1R)-1-hydroxy-2-(methylamino)ethyl]pyrocatechol;tartaric acid::L-ADRENALINE BITARTRATE::MLS000028381::SMR000058630::cid_6852374

SMILES CNC[C@@H](c1ccc(c(c1)O)O)O

InChI Key InChIKey=UCTWMZQNUQWSLP-UHFFFAOYSA-N

Data  2 IC50  2 EC50

PDB links: 8 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 44818   

LigandPNGBDBM44818(L-ADRENALINE BITARTRATE | MLS000028381 | 2,3-dihyd...)
Affinity DataEC50:  3.75E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM44818(L-ADRENALINE BITARTRATE | MLS000028381 | 2,3-dihyd...)
Affinity DataIC50: 3.02E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM44818(L-ADRENALINE BITARTRATE | MLS000028381 | 2,3-dihyd...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44818(L-ADRENALINE BITARTRATE | MLS000028381 | 2,3-dihyd...)
Affinity DataEC50:  1.38E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssayPDB3D3D Structure (crystal)