BDBM50105829 CHEMBL3597603

SMILES: Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=OTCIZTDNRWBZJS-REZTVBANSA-N

Data: 3 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 4 hits for monomerid = 50105829   

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))	BDBM50105829 (CHEMBL3597603) Show SMILES Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3/b17-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50105829 (CHEMBL3597603) Show SMILES Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3/b17-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (RAT)	BDBM50105829 (CHEMBL3597603) Show SMILES Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3/b17-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]R214127 from rat cloned mGluR1 receptor expressed in CHO-T-Rex cells after 30 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105829 (CHEMBL3597603) Show SMILES Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3/b17-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair