BDBM50349559 CHEMBL1808885

SMILES: COc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1

InChI Key: InChIKey=QGGMLWQJUHYNLK-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 = 50349559   

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))	BDBM50349559 (CHEMBL1808885) Show SMILES COc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN2O2/c1-26-20-12-18(15-7-3-8-16(22)11-15)23-13-17(20)19-9-4-10-24(19)21(25)14-5-2-6-14/h3,7-8,11-14,19H,2,4-6,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50349559 (CHEMBL1808885) Show SMILES COc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN2O2/c1-26-20-12-18(15-7-3-8-16(22)11-15)23-13-17(20)19-9-4-10-24(19)21(25)14-5-2-6-14/h3,7-8,11-14,19H,2,4-6,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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