BDBM34612 1-methyl-3,4-dihydro-2H-beta-carboline;picric acid::2-methylbenzo[g][1,3]benzoxazole;2,4,6-trinitrophenol::2-methylbenzo[g][1,3]benzoxazole;picric acid::2-methylnaphtho[2,1-d][1,3]oxazole::MLS000047780::SMR000048831::cid_3241713

SMILES c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI Key InChIKey=OXNIZHLAWKMVMX-UHFFFAOYSA-N

Data  2 IC50  3 EC50

PDB links: 10 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 34612   

TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataEC50:  6.52E+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
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataEC50:  1.07E+4nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataIC50: 2.83E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataEC50:  3.02E+4nMAssay Description:Agonist activity at full length mouse TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataEC50:  4.22E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataIC50: 4.78E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataEC50:  7.12E+4nMAssay Description:Agonist activity at full length rat TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataEC50:  1.07E+5nMAssay Description:Agonist activity at full length human TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM34612(SMR000048831 | MLS000047780 | 2-methylnaphtho[2,1-...)
Affinity DataEC50: >3.00E+5nMAssay Description:Agonist activity at rhesus monkey TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed