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BDBM50332986 4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one::CHEMBL408229

SMILES: Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1

InChI Key: InChIKey=JOYIPFAAAYEHOM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50332986   
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 2


(Homo sapiens (Human))
BDBM50332986
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-7-methyl-8-(tr...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:4|
Show InChI InChI=1S/C19H14F3N5O/c1-11-7-16-17(9-14(11)19(20,21)22)25-18(28)10-15(24-16)12-3-2-4-13(8-12)27-6-5-23-26-27/h2-9H,10H2,1H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

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))
BDBM50332986
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-7-methyl-8-(tr...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:4|
Show InChI InChI=1S/C19H14F3N5O/c1-11-7-16-17(9-14(11)19(20,21)22)25-18(28)10-15(24-16)12-3-2-4-13(8-12)27-6-5-23-26-27/h2-9H,10H2,1H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR2 assessed as blockade of (1S,3R)-ACPD-induced inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 18: 2725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.076
BindingDB Entry DOI: 10.7270/Q2S75H7D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332986
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-7-methyl-8-(tr...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:4|
Show InChI InChI=1S/C19H14F3N5O/c1-11-7-16-17(9-14(11)19(20,21)22)25-18(28)10-15(24-16)12-3-2-4-13(8-12)27-6-5-23-26-27/h2-9H,10H2,1H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]LY354740 from rat mGluR2


Bioorg Med Chem Lett 18: 2725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.076
BindingDB Entry DOI: 10.7270/Q2S75H7D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332986
PNG
(4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-7-methyl-8-(tr...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-n1ccnn1 |c:4|
Show InChI InChI=1S/C19H14F3N5O/c1-11-7-16-17(9-14(11)19(20,21)22)25-18(28)10-15(24-16)12-3-2-4-13(8-12)27-6-5-23-26-27/h2-9H,10H2,1H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

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