BDBM50332991 4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophenyl)-1H-benzo[b][1,4]diazepin-2(3H)-one::CHEMBL261288

SMILES: Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1

InChI Key: InChIKey=KQAQQTRQYSXKHD-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50332991   

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))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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 receptor expressed in CHO cells assessed as inhibition of GIRK current				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))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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 3 (Rattus norvegicus (Rat))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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 mGluR3 receptor expressed in CHO cells assessed as inhibition of GIRK current				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))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				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))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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 3 (Rattus norvegicus (Rat))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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 mGluR3 expressed in CHO cells assessed as inhibition of glutamate-induced GIRK current				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))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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 expressed in CHO cells assessed as inhibition of glutamta-induced GIRK current				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))	BDBM50332991 (4-(3-(1H-1,2,3-triazol-1-yl)phenyl)-8-(2-fluorophe...) Show SMILES Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12| Show InChI InChI=1S/C23H16FN5O/c24-19-7-2-1-6-18(19)15-8-9-20-22(13-15)27-23(30)14-21(26-20)16-4-3-5-17(12-16)29-11-10-25-28-29/h1-13H,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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