BDBM50122240 CHEMBL3617650

SMILES: C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccn1

InChI Key: InChIKey=XMCQBEJBDBCTHO-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 = 50122240   

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))	BDBM50122240 (CHEMBL3617650) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,10-11H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	331	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))	BDBM50122240 (CHEMBL3617650) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,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	<3.16E+4	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))	BDBM50122240 (CHEMBL3617650) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,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	>3.00E+4	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))	BDBM50122240 (CHEMBL3617650) Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccccn1 |r| Show InChI InChI=1S/C18H16ClN5O2/c1-12-10-23(16-4-2-3-7-20-16)18(25)15-8-14(22-24(12)15)11-26-17-6-5-13(19)9-21-17/h2-9,12H,10-11H2,1H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	328	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