BDBM50438300 CHEMBL2408563

SMILES: CC1(C)CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1

InChI Key: InChIKey=SEHUTCGJEJEBDP-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50438300   

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 (Homo sapiens (Human))	BDBM50438300 (CHEMBL2408563) Show SMILES CC1(C)CC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2C1 Show InChI InChI=1S/C16H16ClN3O/c1-16(2)7-13-12(14(21)8-16)9-18-15(20-13)19-11-5-3-10(17)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Merz Pharmaceuticals GmbH Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular cAMP accumulation...				Bioorg Med Chem Lett 23: 4493-500 (2013) Article DOI: 10.1016/j.bmcl.2013.06.049 BindingDB Entry DOI: 10.7270/Q2KD20B8
					More data for this Ligand-Target Pair