BDBM50122253 CHEMBL3617639

SMILES: COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O

InChI Key: InChIKey=HDKXWARCXQYIAT-CYBMUJFWSA-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 = 50122253   

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))	BDBM50122253 (CHEMBL3617639) Show SMILES COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19ClN4O3/c1-13-11-24(16-4-3-5-17(9-16)27-2)20(26)18-8-15(23-25(13)18)12-28-19-7-6-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/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 5 (Rattus norvegicus (Rat))	BDBM50122253 (CHEMBL3617639) Show SMILES COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19ClN4O3/c1-13-11-24(16-4-3-5-17(9-16)27-2)20(26)18-8-15(23-25(13)18)12-28-19-7-6-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.13E+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 5 (Rattus norvegicus (Rat))	BDBM50122253 (CHEMBL3617639) Show SMILES COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19ClN4O3/c1-13-11-24(16-4-3-5-17(9-16)27-2)20(26)18-8-15(23-25(13)18)12-28-19-7-6-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.07E+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))	BDBM50122253 (CHEMBL3617639) Show SMILES COc1cccc(c1)N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O |r| Show InChI InChI=1S/C20H19ClN4O3/c1-13-11-24(16-4-3-5-17(9-16)27-2)20(26)18-8-15(23-25(13)18)12-28-19-7-6-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	313	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