BDBM50337958 CHEMBL1684242::N-cyclobutyl-6-((3-fluorophenyl)ethynyl)nicotinamide

SMILES: Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1

InChI Key: InChIKey=NEMHWVUKNWAKTM-UHFFFAOYSA-N

Data: 1 KI  2 EC50

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 3 hits for monomerid = 50337958   

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 (Rattus norvegicus (Rat))	BDBM50337958 (CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...) Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter				Bioorg Med Chem Lett 22: 6481-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.043 BindingDB Entry DOI: 10.7270/Q2KD200S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50337958 (CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...) Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Vanderbilt Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor assessed as calcium mobilization				Bioorg Med Chem Lett 21: 1350-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.044 BindingDB Entry DOI: 10.7270/Q24B31MX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50337958 (CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...) Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1 Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization				Bioorg Med Chem Lett 22: 6481-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.043 BindingDB Entry DOI: 10.7270/Q2KD200S
					More data for this Ligand-Target Pair