null

SMILES: O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1

InChI Key: InChIKey=VTXFDYQINNVIHN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50172122   

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 (Rattus norvegicus (Rat))	BDBM50172122 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13| Show InChI InChI=1S/C19H16N2O2/c22-19(23-18-7-2-1-3-8-18)21-14-11-16(12-15-21)9-10-17-6-4-5-13-20-17/h1-8,11,13H,12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50172122 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13| Show InChI InChI=1S/C19H16N2O2/c22-19(23-18-7-2-1-3-8-18)21-14-11-16(12-15-21)9-10-17-6-4-5-13-20-17/h1-8,11,13H,12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocol				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50172122 (4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-ca...) Show SMILES O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1 |c:13| Show InChI InChI=1S/C19H16N2O2/c22-19(23-18-7-2-1-3-8-18)21-14-11-16(12-15-21)9-10-17-6-4-5-13-20-17/h1-8,11,13H,12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair