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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.4
BDBM50423049

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

Found 1 hit 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


(Homo sapiens (Human))
BDBM50423049
PNG
(CHEMBL233914)
Show SMILES CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:18:19:23.22:25|
Show InChI InChI=1S/C21H31N3O4/c1-12-18(21(27)28-17-11-15-6-7-16(17)10-15)13(2)24-19(12)20(26)23-9-5-4-8-22-14(3)25/h15-17,24H,4-11H2,1-3H3,(H,22,25)(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair