BDBM50401677 CHEMBL2205377

SMILES: COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O

InChI Key: InChIKey=XUSKBQJCEPMVBM-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50401677   

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 (RAT)	BDBM50401677 (CHEMBL2205377) Show SMILES COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O Show InChI InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1				Bioorg Med Chem Lett 22: 7223-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.048 BindingDB Entry DOI: 10.7270/Q24B32GJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50401677 (CHEMBL2205377) Show SMILES COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O Show InChI InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1				Bioorg Med Chem Lett 22: 7223-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.048 BindingDB Entry DOI: 10.7270/Q24B32GJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50401677 (CHEMBL2205377) Show SMILES COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O Show InChI InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5				Bioorg Med Chem Lett 22: 7223-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.048 BindingDB Entry DOI: 10.7270/Q24B32GJ
					More data for this Ligand-Target Pair