BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 307.3
BDBM50231744
Purchase

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)
BDBM50231744
PNG
(CHEMBL399160 | NPS 2390 | quinoxaline-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |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/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.36n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development, Beerse

Curated by PDSP Ki Database




Mol Pharmacol 63: 1082-93 (2003)


Article DOI: 10.1124/mol.63.5.1082
BindingDB Entry DOI: 10.7270/Q2BV7F62
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50231744
PNG
(CHEMBL399160 | NPS 2390 | quinoxaline-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |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/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development, Beerse

Curated by PDSP Ki Database




Mol Pharmacol 63: 1082-93 (2003)


Article DOI: 10.1124/mol.63.5.1082
BindingDB Entry DOI: 10.7270/Q2BV7F62
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50231744
PNG
(CHEMBL399160 | NPS 2390 | quinoxaline-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |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/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/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