BDBM50345928 3-Benzothiazol-6-yl-9-prop-2-ynylamino-3H-thieno[2,3-d:4,5-d']dipyrimidin-4-one::CHEMBL1784076

SMILES: O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1

InChI Key: InChIKey=GOBYERFJMNPSFY-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 = 50345928   

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)	BDBM50345928 (3-Benzothiazol-6-yl-9-prop-2-ynylamino-3H-thieno[2...) Show SMILES O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1 Show InChI InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-11-12(6-10)26-9-23-11/h1,3-4,6-9H,5H2,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	107	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))	BDBM50345928 (3-Benzothiazol-6-yl-9-prop-2-ynylamino-3H-thieno[2...) Show SMILES O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1 Show InChI InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-11-12(6-10)26-9-23-11/h1,3-4,6-9H,5H2,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	209	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))	BDBM50345928 (3-Benzothiazol-6-yl-9-prop-2-ynylamino-3H-thieno[2...) Show SMILES O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2ncsc2c1 Show InChI InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-11-12(6-10)26-9-23-11/h1,3-4,6-9H,5H2,(H,19,20,21)	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