BDBM234209 US9359301, Reference compound 2

SMILES: CN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C

InChI Key: InChIKey=PBYISPNTWUWROS-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 = 234209   

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 5a (mGluR5) (Homo sapiens (Human))	BDBM234209 (US9359301, Reference compound 2) Show SMILES CN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C18H18FN3O/c1-18(2,3)22(4)17(23)16-20-11-14(12-21-16)9-8-13-6-5-7-15(19)10-13/h5-7,10-12H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	51	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...				US Patent US9359301 (2016) BindingDB Entry DOI: 10.7270/Q2KK99ND
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5) (Homo sapiens (Human))	BDBM234209 (US9359301, Reference compound 2) Show SMILES CN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C18H18FN3O/c1-18(2,3)22(4)17(23)16-20-11-14(12-21-16)9-8-13-6-5-7-15(19)10-13/h5-7,10-12H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				US Patent US9359301 (2016) BindingDB Entry DOI: 10.7270/Q2KK99ND
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5) (Homo sapiens (Human))	BDBM234209 (US9359301, Reference compound 2) Show SMILES CN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C18H18FN3O/c1-18(2,3)22(4)17(23)16-20-11-14(12-21-16)9-8-13-6-5-7-15(19)10-13/h5-7,10-12H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	51	n/a	n/a	7.4	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...				US Patent US9359301 (2016) BindingDB Entry DOI: 10.7270/Q2KK99ND
					More data for this Ligand-Target Pair