BDBM50416896 CHEMBL1258629

SMILES: CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(OC)ccc1OC

InChI Key: InChIKey=CDPVYCIOKAJKLS-NRFANRHFSA-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 = 50416896   

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))	BDBM50416896 (CHEMBL1258629) Show SMILES CCC(=O)N1[C@@H](Oc2nc(SC)nnc2-c2ccccc12)c1cc(OC)ccc1OC |r| Show InChI InChI=1S/C22H22N4O4S/c1-5-18(27)26-16-9-7-6-8-14(16)19-20(23-22(31-4)25-24-19)30-21(26)15-12-13(28-2)10-11-17(15)29-3/h6-12,21H,5H2,1-4H3/t21-/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	191	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