BDBM224623 US9328070, Reference compound 1::US9359301, Reference compound 1

SMILES: CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C

InChI Key: InChIKey=VUVIRIKCQGNTPJ-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 224623   

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))	BDBM224623 (US9328070, Reference compound 1 | US9359301, Refer...) Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	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 US9328070 (2016) BindingDB Entry DOI: 10.7270/Q27943JT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5) (Homo sapiens (Human))	BDBM224623 (US9328070, Reference compound 1 | US9359301, Refer...) Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	29	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))	BDBM224623 (US9328070, Reference compound 1 | US9359301, Refer...) Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	29	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))	BDBM224623 (US9328070, Reference compound 1 | US9359301, Refer...) Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	16	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 US9328070 (2016) BindingDB Entry DOI: 10.7270/Q27943JT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5) (Homo sapiens (Human))	BDBM224623 (US9328070, Reference compound 1 | US9359301, Refer...) Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	16	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