BDBM50400331 CHEMBL2181520

SMILES: CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1

InChI Key: InChIKey=YWMSMVNZMJXUKI-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 = 50400331   

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)	BDBM50400331 (CHEMBL2181520) Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H21N5OS/c1-12(2)22-17-9-15(20-11-21-17)16-10-26-19(23-16)24(4)18(25)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting				J Med Chem 55: 11042-51 (2012) Article DOI: 10.1021/jm301597s BindingDB Entry DOI: 10.7270/Q24Q7W5R
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50400331 (CHEMBL2181520) Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H21N5OS/c1-12(2)22-17-9-15(20-11-21-17)16-10-26-19(23-16)24(4)18(25)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting				J Med Chem 55: 11042-51 (2012) Article DOI: 10.1021/jm301597s BindingDB Entry DOI: 10.7270/Q24Q7W5R
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50400331 (CHEMBL2181520) Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C19H21N5OS/c1-12(2)22-17-9-15(20-11-21-17)16-10-26-19(23-16)24(4)18(25)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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
National Institute of Radiological Sciences Curated by ChEMBL					Assay Description Displacement of [11C]-ABP688 from mGlu5 receptor in rat brain homogenates after 1 hr by gamma counting				J Med Chem 55: 11042-51 (2012) Article DOI: 10.1021/jm301597s BindingDB Entry DOI: 10.7270/Q24Q7W5R
					More data for this Ligand-Target Pair