null

SMILES: COc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1

InChI Key: InChIKey=DEQQPMOLBTYQDJ-PBBVDAKRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50323381   

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 5 (Rattus norvegicus (Rat))	BDBM50323381 ((1,2-dicyclohexyl-3-(6-thioxocyclohexa-1,3-dienyl)...) Show SMILES COc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C27H36N2O3S/c1-31-23-15-8-14-22(18-23)28-27(30)32-29-26(21-12-6-3-7-13-21)25(19-24-16-9-17-33-24)20-10-4-2-5-11-20/h8-9,14-18,20-21,25H,2-7,10-13,19H2,1H3,(H,28,30)/b29-26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	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 mGLUR5				Bioorg Med Chem Lett 20: 4371-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.075 BindingDB Entry DOI: 10.7270/Q2G1611F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323381 ((1,2-dicyclohexyl-3-(6-thioxocyclohexa-1,3-dienyl)...) Show SMILES COc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C27H36N2O3S/c1-31-23-15-8-14-22(18-23)28-27(30)32-29-26(21-12-6-3-7-13-21)25(19-24-16-9-17-33-24)20-10-4-2-5-11-20/h8-9,14-18,20-21,25H,2-7,10-13,19H2,1H3,(H,28,30)/b29-26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry				Bioorg Med Chem Lett 20: 4371-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.075 BindingDB Entry DOI: 10.7270/Q2G1611F
					More data for this Ligand-Target Pair