null

SMILES: COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O

InChI Key: InChIKey=ZMDMWMUPQKNAJR-CYBMUJFWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50122272   

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 3 (Rattus norvegicus (Rat))	BDBM50122272 (CHEMBL3617620) Show SMILES COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122272 (CHEMBL3617620) Show SMILES COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	301	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50122272 (CHEMBL3617620) Show SMILES COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50122272 (CHEMBL3617620) Show SMILES COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19FN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	302	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair