BDBM50225814 (E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)benzonitrile::3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)benzonitrile::CHEMBL401446

SMILES: O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N

InChI Key: InChIKey=YQYIKKPJWMTPST-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50225814   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells				Bioorg Med Chem Lett 17: 6811-5 (2007) Article DOI: 10.1016/j.bmcl.2007.10.026 BindingDB Entry DOI: 10.7270/Q2R78DZD
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/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
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]LY354740 from rat mGluR2				Bioorg Med Chem Lett 18: 1091-5 (2008) Article DOI: 10.1016/j.bmcl.2007.12.005 BindingDB Entry DOI: 10.7270/Q2VD7096
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]LY354740 from rat recombinant mGluR2 expressed in CHO cells				Bioorg Med Chem Lett 18: 1091-5 (2008) Article DOI: 10.1016/j.bmcl.2007.12.005 BindingDB Entry DOI: 10.7270/Q2VD7096
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR2 assessed as effect on (1S,3R)-ACPD-induced inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 18: 1091-5 (2008) Article DOI: 10.1016/j.bmcl.2007.12.005 BindingDB Entry DOI: 10.7270/Q2VD7096
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50225814 ((E)-3-(4-oxo-7-(2-phenylethynyl)-4,5-dihydro-3H-be...) Show SMILES O=C1CC(=Nc2ccc(cc2N1)C#Cc1ccccc1)c1cccc(c1)C#N |c:3| Show InChI InChI=1S/C24H15N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h1-8,11-14H,15H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]LY354740 from recombinant rat mGluR2 expressed in CHO cells				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