BDBM50349558 CHEMBL1808887

SMILES: CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1

InChI Key: InChIKey=ZFWJHRHYLANHPY-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 = 50349558   

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))	BDBM50349558 (CHEMBL1808887) Show SMILES CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN3O2S/c1-23(2,29)13-16-12-19(15-5-3-6-17(24)11-15)26-14-18(16)20-7-4-9-27(20)22(28)21-25-8-10-30-21/h3,5-6,8,10-12,14,20,29H,4,7,9,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from human mGluR5 expressed in CHO cells after 60 mins				Bioorg Med Chem Lett 21: 4891-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.014 BindingDB Entry DOI: 10.7270/Q2CN748G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50349558 (CHEMBL1808887) Show SMILES CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN3O2S/c1-23(2,29)13-16-12-19(15-5-3-6-17(24)11-15)26-14-18(16)20-7-4-9-27(20)22(28)21-25-8-10-30-21/h3,5-6,8,10-12,14,20,29H,4,7,9,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization aft...				Bioorg Med Chem Lett 21: 4891-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.014 BindingDB Entry DOI: 10.7270/Q2CN748G
					More data for this Ligand-Target Pair