Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.3 BDBM50273941

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

Found 3 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 1 (Mus musculus)	BDBM50273941 (CHEMBL456196 | iso-Propyl-4-[1-(2-fuluoropyridine-...) Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9| Show InChI InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50273941 (CHEMBL456196 | iso-Propyl-4-[1-(2-fuluoropyridine-...) Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9| Show InChI InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50273941 (CHEMBL456196 | iso-Propyl-4-[1-(2-fuluoropyridine-...) Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9| Show InChI InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in CHO cells assessed as calcium flux by FLIPR assay				Bioorg Med Chem 16: 9817-29 (2008) Article DOI: 10.1016/j.bmc.2008.09.060 BindingDB Entry DOI: 10.7270/Q2QN66K2
					More data for this Ligand-Target Pair