BDBM50345959 3-(3-Fluoro-4-methoxy-phenyl)-9-(2-methyl-allylamino)-3H-thieno[2,3-d:4,5-d']dipyrimidin-4-one::CHEMBL1784058

SMILES: COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O

InChI Key: InChIKey=SXOUOEOFPBGVPK-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 = 50345959   

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)	BDBM50345959 (3-(3-Fluoro-4-methoxy-phenyl)-9-(2-methyl-allylami...) Show SMILES COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O Show InChI InChI=1S/C19H16FN5O2S/c1-10(2)7-21-17-14-15-16(28-18(14)23-8-22-17)19(26)25(9-24-15)11-4-5-13(27-3)12(20)6-11/h4-6,8-9H,1,7H2,2-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1				Bioorg Med Chem Lett 19: 3199-203 (2009) Article DOI: 10.1016/j.bmcl.2009.04.104 BindingDB Entry DOI: 10.7270/Q27081SJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50345959 (3-(3-Fluoro-4-methoxy-phenyl)-9-(2-methyl-allylami...) Show SMILES COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O Show InChI InChI=1S/C19H16FN5O2S/c1-10(2)7-21-17-14-15-16(28-18(14)23-8-22-17)19(26)25(9-24-15)11-4-5-13(27-3)12(20)6-11/h4-6,8-9H,1,7H2,2-3H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1				Bioorg Med Chem Lett 19: 3199-203 (2009) Article DOI: 10.1016/j.bmcl.2009.04.104 BindingDB Entry DOI: 10.7270/Q27081SJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50345959 (3-(3-Fluoro-4-methoxy-phenyl)-9-(2-methyl-allylami...) Show SMILES COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O Show InChI InChI=1S/C19H16FN5O2S/c1-10(2)7-21-17-14-15-16(28-18(14)23-8-22-17)19(26)25(9-24-15)11-4-5-13(27-3)12(20)6-11/h4-6,8-9H,1,7H2,2-3H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5				Bioorg Med Chem Lett 19: 3199-203 (2009) Article DOI: 10.1016/j.bmcl.2009.04.104 BindingDB Entry DOI: 10.7270/Q27081SJ
					More data for this Ligand-Target Pair