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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 257.3
BDBM50231727
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 1


(RAT)
BDBM50231727
PNG
(CHEMBL253348 | cid_2931812 | pyrazine-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C15H19N3O/c19-14(13-9-16-1-2-17-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,18,19)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50231727
PNG
(CHEMBL253348 | cid_2931812 | pyrazine-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C15H19N3O/c19-14(13-9-16-1-2-17-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.87E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZW1JJF
More data for this
Ligand-Target Pair
Polyadenylate-binding protein 1


(Homo sapiens (Human))
BDBM50231727
PNG
(CHEMBL253348 | cid_2931812 | pyrazine-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C15H19N3O/c19-14(13-9-16-1-2-17-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.33E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair