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BDBM50177090 9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3-diazafluoren-4-one::CHEMBL389918

SMILES: CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)c23)c1=O

InChI Key: InChIKey=PNYBDVUFMGSQSL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50177090   
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))
BDBM50177090
PNG
(9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3-di...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C20H19N3OS/c1-4-13-8-10-14(11-9-13)23-12-21-18-17-15(22(2)3)6-5-7-16(17)25-19(18)20(23)24/h5-12H,4H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177090
PNG
(9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3-di...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3cccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C20H19N3OS/c1-4-13-8-10-14(11-9-13)23-12-21-18-17-15(22(2)3)6-5-7-16(17)25-19(18)20(23)24/h5-12H,4H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 949n/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