BDBM50345946 3-Benzo[1,3]dioxol-5-yl-9-(2-methyl-allylamino)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one::CHEMBL1783873

SMILES: CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12

InChI Key: InChIKey=DYIGNEBNVYLHGK-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 = 50345946   

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 1 (RAT)	BDBM50345946 (3-Benzo[1,3]dioxol-5-yl-9-(2-methyl-allylamino)-3H...) Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12 Show InChI InChI=1S/C20H16N4O3S/c1-11(2)8-22-13-5-6-21-19-16(13)17-18(28-19)20(25)24(9-23-17)12-3-4-14-15(7-12)27-10-26-14/h3-7,9H,1,8,10H2,2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	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))	BDBM50345946 (3-Benzo[1,3]dioxol-5-yl-9-(2-methyl-allylamino)-3H...) Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12 Show InChI InChI=1S/C20H16N4O3S/c1-11(2)8-22-13-5-6-21-19-16(13)17-18(28-19)20(25)24(9-23-17)12-3-4-14-15(7-12)27-10-26-14/h3-7,9H,1,8,10H2,2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	241	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))	BDBM50345946 (3-Benzo[1,3]dioxol-5-yl-9-(2-methyl-allylamino)-3H...) Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCOc5c4)c3=O)c12 Show InChI InChI=1S/C20H16N4O3S/c1-11(2)8-22-13-5-6-21-19-16(13)17-18(28-19)20(25)24(9-23-17)12-3-4-14-15(7-12)27-10-26-14/h3-7,9H,1,8,10H2,2H3,(H,21,22)	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