BDBM224625 US9328070, Reference compound 3

SMILES: CC(C)(NC(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(F)(F)F

InChI Key: InChIKey=IHNZWKAGAISFBH-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 224625   

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))	BDBM224625 (US9328070, Reference compound 3) Show SMILES CC(C)(NC(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O/c1-16(2,17(19,20)21)24-15(25)13-6-5-12(10-23-13)4-3-11-7-8-22-14(18)9-11/h5-10H,1-2H3,(H,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58	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))	BDBM224625 (US9328070, Reference compound 3) Show SMILES CC(C)(NC(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O/c1-16(2,17(19,20)21)24-15(25)13-6-5-12(10-23-13)4-3-11-7-8-22-14(18)9-11/h5-10H,1-2H3,(H,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	37	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