BDBM50349573 CHEMBL1808886

SMILES: Oc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1

InChI Key: InChIKey=HFXLKMDYPFMMCB-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 = 50349573   

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))	BDBM50349573 (CHEMBL1808886) Show SMILES Oc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H21ClN2O2/c21-15-7-2-6-14(10-15)17-11-19(24)16(12-22-17)18-8-3-9-23(18)20(25)13-4-1-5-13/h2,6-7,10-13,18H,1,3-5,8-9H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	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))	BDBM50349573 (CHEMBL1808886) Show SMILES Oc1cc(ncc1C1CCCN1C(=O)C1CCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H21ClN2O2/c21-15-7-2-6-14(10-15)17-11-19(24)16(12-22-17)18-8-3-9-23(18)20(25)13-4-1-5-13/h2,6-7,10-13,18H,1,3-5,8-9H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	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