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SMILES: C[C@@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C

InChI Key: InChIKey=AOUUMBPBMVOBSP-SNVBAGLBSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50483144   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50483144
PNG
(CHEMBL1630057 | GSK2210875)
Show SMILES C[C@@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C |r|
Show InChI InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5


Bioorg Med Chem Lett 20: 7521-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50483144
PNG
(CHEMBL1630057 | GSK2210875)
Show SMILES C[C@@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C |r|
Show InChI InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 in mouse astrocytes assessed as inhibition of L-quisqualate induced calcium release by FLIPR assay


Bioorg Med Chem Lett 20: 7521-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50483144
PNG
(CHEMBL1630057 | GSK2210875)
Show SMILES C[C@@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C |r|
Show InChI InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization


Bioorg Med Chem Lett 20: 7521-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.120
BindingDB Entry DOI: 10.7270/Q2KH0R5D
More data for this
Ligand-Target Pair