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BDBM50332999 7-methyl-4-(3-(pyrazin-2-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one::CHEMBL1629854

SMILES: Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cnccn1

InChI Key: InChIKey=JNFNUQBEVWFFJC-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50332999   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332999
PNG
(7-methyl-4-(3-(pyrazin-2-yl)phenyl)-8-(trifluorome...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cnccn1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-17-18(9-15(12)21(22,23)24)28-20(29)10-16(27-17)13-3-2-4-14(8-13)19-11-25-5-6-26-19/h2-9,11H,10H2,1H3,(H,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332999
PNG
(7-methyl-4-(3-(pyrazin-2-yl)phenyl)-8-(trifluorome...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cnccn1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-17-18(9-15(12)21(22,23)24)28-20(29)10-16(27-17)13-3-2-4-14(8-13)19-11-25-5-6-26-19/h2-9,11H,10H2,1H3,(H,28,29)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair