BDBM37037 2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole::3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-2-benzofuro[3,2-b]pyrrolyl)methanone::3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzofuro[3,2-b]pyrrol-2-yl)methanone::3,4-dihydro-1H-isoquinolin-2-yl-(1-methylbenzofuro[3,2-b]pyrrol-2-yl)methanone::MLS000093643::SMR000029261::cid_3236996

SMILES Cn1c(cc2oc3ccccc3c12)C(=O)N1CCc2ccccc2C1

InChI Key InChIKey=LUAKKOFCERIFEM-UHFFFAOYSA-N

Data  1 IC50  3 EC50

  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 = 37037   

TargetPotassium voltage-gated channel subfamily KQT member 2(Rat)
Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay
LigandPNGBDBM37037(3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzo...)
Affinity DataIC50: 6.99E+3nMAssay Description:Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC_KCNQ2_Inh_HFCP_IWS_CRC) Center Affiliation: Johns Hopkins University, School of M...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37037(3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzo...)
Affinity DataEC50: >3.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37037(3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzo...)
Affinity DataEC50: >3.00E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37037(3,4-dihydro-1H-isoquinolin-2-yl-(1-methyl-[1]benzo...)
Affinity DataEC50:  6.64E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay