BDBM50388959 CHEMBL2063724

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

InChI Key: InChIKey=DPLQZLXKLQTGRU-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 = 50388959   

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)	BDBM50388959 (CHEMBL2063724) Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1 Show InChI InChI=1S/C21H24FN5O2S/c1-14(2)25-19-11-17(23-13-24-19)18-12-30-21(26-18)27(3)20(28)15-5-7-16(8-6-15)29-10-4-9-22/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	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 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...				J Med Chem 55: 2342-52 (2012) Article DOI: 10.1021/jm201590g BindingDB Entry DOI: 10.7270/Q2S46T1S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50388959 (CHEMBL2063724) Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1 Show InChI InChI=1S/C21H24FN5O2S/c1-14(2)25-19-11-17(23-13-24-19)18-12-30-21(26-18)27(3)20(28)15-5-7-16(8-6-15)29-10-4-9-22/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,24,25)	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 mGluR5 in Sprague-Dawley rat brain homogenates after 1 hr by gamma counting				J Med Chem 55: 2342-52 (2012) Article DOI: 10.1021/jm201590g BindingDB Entry DOI: 10.7270/Q2S46T1S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50388959 (CHEMBL2063724) Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1 Show InChI InChI=1S/C21H24FN5O2S/c1-14(2)25-19-11-17(23-13-24-19)18-12-30-21(26-18)27(3)20(28)15-5-7-16(8-6-15)29-10-4-9-22/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,24,25)	PDB UniProtKB/SwissProt 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 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...				J Med Chem 55: 2342-52 (2012) Article DOI: 10.1021/jm201590g BindingDB Entry DOI: 10.7270/Q2S46T1S
					More data for this Ligand-Target Pair