BDBM50122279 CHEMBL3617613

SMILES: C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1

InChI Key: InChIKey=KLSJFJAHROCGEA-GFCCVEGCSA-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 = 50122279   

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))	BDBM50122279 (CHEMBL3617613) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H16F2N4O2/c1-12-10-24(16-4-2-3-13(20)7-16)19(26)17-8-15(23-25(12)17)11-27-18-6-5-14(21)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	191	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 5 (Rattus norvegicus (Rat))	BDBM50122279 (CHEMBL3617613) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H16F2N4O2/c1-12-10-24(16-4-2-3-13(20)7-16)19(26)17-8-15(23-25(12)17)11-27-18-6-5-14(21)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.72E+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))	BDBM50122279 (CHEMBL3617613) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H16F2N4O2/c1-12-10-24(16-4-2-3-13(20)7-16)19(26)17-8-15(23-25(12)17)11-27-18-6-5-14(21)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	192	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 5 (Rattus norvegicus (Rat))	BDBM50122279 (CHEMBL3617613) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1cccc(F)c1 |r| Show InChI InChI=1S/C19H16F2N4O2/c1-12-10-24(16-4-2-3-13(20)7-16)19(26)17-8-15(23-25(12)17)11-27-18-6-5-14(21)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.75E+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