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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.4
BDBM50429657

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 5


(Homo sapiens (Human))
BDBM50429657
PNG
(CHEMBL2334974)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(CF)n1)-c1ccc2nn(C)cc2c1 |r|
Show InChI InChI=1S/C22H20FN5OS/c1-12-8-16(12)21(29)25-22-19(18-5-3-4-15(10-23)24-18)20(27-30-22)13-6-7-17-14(9-13)11-28(2)26-17/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,25,29)/t12-,16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGlu5 receptor expressed in Syrian hamster AV12 cells assessed as receptor-mediated changes in in...


Bioorg Med Chem Lett 23: 1249-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.009
BindingDB Entry DOI: 10.7270/Q2DJ5H0Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50429657
PNG
(CHEMBL2334974)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(CF)n1)-c1ccc2nn(C)cc2c1 |r|
Show InChI InChI=1S/C22H20FN5OS/c1-12-8-16(12)21(29)25-22-19(18-5-3-4-15(10-23)24-18)20(27-30-22)13-6-7-17-14(9-13)11-28(2)26-17/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,25,29)/t12-,16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGlu1 receptor expressed in Syrian hamster AV12 cells assessed as receptor-mediated changes in in...


Bioorg Med Chem Lett 23: 1249-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.009
BindingDB Entry DOI: 10.7270/Q2DJ5H0Z
More data for this
Ligand-Target Pair