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BDBM50177067 9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one::9-dimethylamino-3-(o-hydroxyphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one::CHEMBL389897

SMILES: CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12

InChI Key: InChIKey=NDRXDYBNXCRHJD-UHFFFAOYSA-N

Data: 2 KI  3 IC50

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 5 hits for monomerid = 50177067   
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


(RAT)
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
99n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat cortex mGluR5


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
PDB

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PC sid
UniChem

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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair