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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.4
BDBM50436502

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))
BDBM50436502
PNG
(CHEMBL2397368)
Show SMILES C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
Show InChI InChI=1S/C21H29N3O/c1-15-14-23(19-3-2-4-22-13-19)5-6-24(15)20(25)21-10-16-7-17(11-21)9-18(8-16)12-21/h2-4,13,15-18H,5-12,14H2,1H3/t15-,16?,17?,18?,21?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 596n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 23: 3713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.020
BindingDB Entry DOI: 10.7270/Q2Z60QGB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50436502
PNG
(CHEMBL2397368)
Show SMILES C[C@@H]1CN(CCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1 |r,TLB:7:9:12.11.16:14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9,7:9:12:16.15.14|
Show InChI InChI=1S/C21H29N3O/c1-15-14-23(19-3-2-4-22-13-19)5-6-24(15)20(25)21-10-16-7-17(11-21)9-18(8-16)12-21/h2-4,13,15-18H,5-12,14H2,1H3/t15-,16?,17?,18?,21?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 603n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 23: 3713-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.020
BindingDB Entry DOI: 10.7270/Q2Z60QGB
More data for this
Ligand-Target Pair