BDBM50122269 CHEMBL3617623

SMILES: C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1F

InChI Key: InChIKey=PEEXJDXBNCPWGK-LLVKDONJSA-N

Data: 2 IC50  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 4 hits for monomerid = 50122269   

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 3 (Rattus norvegicus (Rat))	BDBM50122269 (CHEMBL3617623) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1F |r| Show InChI InChI=1S/C19H15F3N4O2/c1-11-9-25(15-4-2-3-14(21)18(15)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50122269 (CHEMBL3617623) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1F |r| Show InChI InChI=1S/C19H15F3N4O2/c1-11-9-25(15-4-2-3-14(21)18(15)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50122269 (CHEMBL3617623) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1F |r| Show InChI InChI=1S/C19H15F3N4O2/c1-11-9-25(15-4-2-3-14(21)18(15)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50122269 (CHEMBL3617623) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1F |r| Show InChI InChI=1S/C19H15F3N4O2/c1-11-9-25(15-4-2-3-14(21)18(15)22)19(27)16-7-13(24-26(11)16)10-28-17-6-5-12(20)8-23-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay				J Med Chem 58: 7485-500 (2015) BindingDB Entry DOI: 10.7270/Q2H9970P
					More data for this Ligand-Target Pair