BDBM50122241 CHEMBL3617649

SMILES: C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(c1)C#N

InChI Key: InChIKey=QIYBZCGKVJEWIW-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 = 50122241   

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))	BDBM50122241 (CHEMBL3617649) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(c1)C#N |r| Show InChI InChI=1S/C20H15ClFN5O2/c1-12-10-26(17-5-13(8-23)4-15(22)6-17)20(28)18-7-16(25-27(12)18)11-29-19-3-2-14(21)9-24-19/h2-7,9,12H,10-11H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	316	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))	BDBM50122241 (CHEMBL3617649) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(c1)C#N |r| Show InChI InChI=1S/C20H15ClFN5O2/c1-12-10-26(17-5-13(8-23)4-15(22)6-17)20(28)18-7-16(25-27(12)18)11-29-19-3-2-14(21)9-24-19/h2-7,9,12H,10-11H2,1H3/t12-/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	1.05E+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 (Rattus norvegicus (Rat))	BDBM50122241 (CHEMBL3617649) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(c1)C#N |r| Show InChI InChI=1S/C20H15ClFN5O2/c1-12-10-26(17-5-13(8-23)4-15(22)6-17)20(28)18-7-16(25-27(12)18)11-29-19-3-2-14(21)9-24-19/h2-7,9,12H,10-11H2,1H3/t12-/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	1.04E+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))	BDBM50122241 (CHEMBL3617649) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cc(F)cc(c1)C#N |r| Show InChI InChI=1S/C20H15ClFN5O2/c1-12-10-26(17-5-13(8-23)4-15(22)6-17)20(28)18-7-16(25-27(12)18)11-29-19-3-2-14(21)9-24-19/h2-7,9,12H,10-11H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	315	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