BDBM50416899 CHEMBL1258857

SMILES: CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)cc1OC

InChI Key: InChIKey=RDPCDIUOTRRKHN-QFIPXVFZSA-N

Data: 1 EC50

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 1 hit for monomerid = 50416899   

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))	BDBM50416899 (CHEMBL1258857) Show SMILES CCCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1ccc(OC)cc1OC |r| Show InChI InChI=1S/C23H24N4O4S/c1-5-8-19(28)27-17-10-7-6-9-15(17)20-21(24-23(32-4)26-25-20)31-22(27)16-12-11-14(29-2)13-18(16)30-3/h6-7,9-13,22H,5,8H2,1-4H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of rat mGluR1 expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5922-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.061 BindingDB Entry DOI: 10.7270/Q2XS5WN3
					More data for this Ligand-Target Pair