Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.3 BDBM196637

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM196637 ((r)-5-(4-fluorophenyl)-2-(((4-fluorophenyl)amino)m...) Show SMILES C[C@@H]1CN(C(=O)c2cc(CNc3ccc(F)cc3)nn12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H18F2N4O/c1-13-12-25(18-8-4-15(22)5-9-18)20(27)19-10-17(24-26(13)19)11-23-16-6-2-14(21)3-7-16/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	25
Vanderbilt University US Patent					Assay Description HEK 293A cells stably expressing rat mGlu5 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of assay m...				US Patent US9676782 (2017) BindingDB Entry DOI: 10.7270/Q2B8569W
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM196637 ((r)-5-(4-fluorophenyl)-2-(((4-fluorophenyl)amino)m...) Show SMILES C[C@@H]1CN(C(=O)c2cc(CNc3ccc(F)cc3)nn12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H18F2N4O/c1-13-12-25(18-8-4-15(22)5-9-18)20(27)19-10-17(24-26(13)19)11-23-16-6-2-14(21)3-7-16/h2-10,13,23H,11-12H2,1H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	25
Vanderbilt University US Patent					Assay Description Gα15/TREx cells stably expressing rat mGlu3 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of a...				US Patent US9676782 (2017) BindingDB Entry DOI: 10.7270/Q2B8569W
					More data for this Ligand-Target Pair