BDBM50066726 CHEMBL3403130

SMILES: Nc1cnc2sc(c(-c3cnccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N

InChI Key: InChIKey=WQGNEJZKGDKFSF-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50066726   

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 (Rattus norvegicus (Rat))	BDBM50066726 (CHEMBL3403130) Show SMILES Nc1cnc2sc(c(-c3cnccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)| Show InChI InChI=1S/C19H10F2N4O2S2/c20-11-3-10(7-22)4-13(5-11)29(26,27)19-17(15-9-24-2-1-16(15)21)14-6-12(23)8-25-18(14)28-19/h1-6,8-9H,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor				Bioorg Med Chem Lett 25: 1724-9 (2015) Article DOI: 10.1016/j.bmcl.2015.02.073 BindingDB Entry DOI: 10.7270/Q2JS9S47
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50066726 (CHEMBL3403130) Show SMILES Nc1cnc2sc(c(-c3cnccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)| Show InChI InChI=1S/C19H10F2N4O2S2/c20-11-3-10(7-22)4-13(5-11)29(26,27)19-17(15-9-24-2-1-16(15)21)14-6-12(23)8-25-18(14)28-19/h1-6,8-9H,23H2	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Negative allosteric modulation of mGlu5 receptor in primary E17 rat embryo neuron assessed as ca2+ level by fluo-4/AM assay				Bioorg Med Chem Lett 25: 1724-9 (2015) Article DOI: 10.1016/j.bmcl.2015.02.073 BindingDB Entry DOI: 10.7270/Q2JS9S47
					More data for this Ligand-Target Pair