BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.4
BDBM50439531

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

Found 2 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


(Homo sapiens (Human))
BDBM50439531
PNG
(CHEMBL2418363)
Show SMILES O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CC2CCCC(C2)C1 |r,TLB:1:16:19.20.21:23|
Show InChI InChI=1S/C20H28N4O/c25-20(23-9-15-4-3-5-16(8-15)10-23)24-13-17-11-22(12-18(17)14-24)19-6-1-2-7-21-19/h1-2,6-7,15-18H,3-5,8-14H2/t15?,16?,17-,18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu1 receptor expressed in HEK293A TREx cells assessed as calcium flux after 45 mins


Bioorg Med Chem Lett 23: 5091-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.029
BindingDB Entry DOI: 10.7270/Q2KW5HG7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50439531
PNG
(CHEMBL2418363)
Show SMILES O=C(N1C[C@H]2CN(C[C@H]2C1)c1ccccn1)N1CC2CCCC(C2)C1 |r,TLB:1:16:19.20.21:23|
Show InChI InChI=1S/C20H28N4O/c25-20(23-9-15-4-3-5-16(8-15)10-23)24-13-17-11-22(12-18(17)14-24)19-6-1-2-7-21-19/h1-2,6-7,15-18H,3-5,8-14H2/t15?,16?,17-,18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu1 receptor expressed in HEK293A TREx cells assessed as calcium flux after 45 mins


Bioorg Med Chem Lett 23: 5091-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.029
BindingDB Entry DOI: 10.7270/Q2KW5HG7
More data for this
Ligand-Target Pair