BDBM50345922 3-(3-Fluoro-4-methoxy-phenyl)-9-prop-2-ynylamino-3H-thieno[2,3-d:4,5-d']dipyrimidin-4-one::CHEMBL1784071

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

InChI Key: InChIKey=YYVVEJSNAMCCET-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 = 50345922   

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)	BDBM50345922 (3-(3-Fluoro-4-methoxy-phenyl)-9-prop-2-ynylamino-3...) Show SMILES COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O Show InChI InChI=1S/C18H12FN5O2S/c1-3-6-20-16-13-14-15(27-17(13)22-8-21-16)18(25)24(9-23-14)10-4-5-12(26-2)11(19)7-10/h1,4-5,7-9H,6H2,2H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	77	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))	BDBM50345922 (3-(3-Fluoro-4-methoxy-phenyl)-9-prop-2-ynylamino-3...) Show SMILES COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O Show InChI InChI=1S/C18H12FN5O2S/c1-3-6-20-16-13-14-15(27-17(13)22-8-21-16)18(25)24(9-23-14)10-4-5-12(26-2)11(19)7-10/h1,4-5,7-9H,6H2,2H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	212	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))	BDBM50345922 (3-(3-Fluoro-4-methoxy-phenyl)-9-prop-2-ynylamino-3...) Show SMILES COc1ccc(cc1F)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O Show InChI InChI=1S/C18H12FN5O2S/c1-3-6-20-16-13-14-15(27-17(13)22-8-21-16)18(25)24(9-23-14)10-4-5-12(26-2)11(19)7-10/h1,4-5,7-9H,6H2,2H3,(H,20,21,22)	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