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BDBM50177071 3-(4-Ethyl-phenyl)-9-(2,2,2-trifluoro-ethylamino)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one::9-(2',2',2'-Trifluoroethylamino)-3-(4'-ethylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one::CHEMBL376372

SMILES: CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O

InChI Key: InChIKey=HVNDCFLLFFZJIK-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50177071   
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 1


(Homo sapiens (Human))
BDBM50177071
PNG
(3-(4-Ethyl-phenyl)-9-(2,2,2-trifluoro-ethylamino)-...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
Show InChI InChI=1S/C19H15F3N4OS/c1-2-11-3-5-12(6-4-11)26-10-25-15-14-13(24-9-19(20,21)22)7-8-23-17(14)28-16(15)18(26)27/h3-8,10H,2,9H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/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
Metabotropic glutamate receptor


(RAT)
BDBM50177071
PNG
(3-(4-Ethyl-phenyl)-9-(2,2,2-trifluoro-ethylamino)-...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
Show InChI InChI=1S/C19H15F3N4OS/c1-2-11-3-5-12(6-4-11)26-10-25-15-14-13(24-9-19(20,21)22)7-8-23-17(14)28-16(15)18(26)27/h3-8,10H,2,9H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/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))
BDBM50177071
PNG
(3-(4-Ethyl-phenyl)-9-(2,2,2-trifluoro-ethylamino)-...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
Show InChI InChI=1S/C19H15F3N4OS/c1-2-11-3-5-12(6-4-11)26-10-25-15-14-13(24-9-19(20,21)22)7-8-23-17(14)28-16(15)18(26)27/h3-8,10H,2,9H2,1H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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