null

SMILES: C1CC(C=C(C1)C#Cc1ccccn1)N1CCOCC1

InChI Key: InChIKey=MCJNQTKTSWIMGK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50410445   

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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50410445 (CHEMBL2113100) Show SMILES C1CC(C=C(C1)C#Cc1ccccn1)N1CCOCC1 |c:3| Show InChI InChI=1S/C17H20N2O/c1-2-9-18-16(5-1)8-7-15-4-3-6-17(14-15)19-10-12-20-13-11-19/h1-2,5,9,14,17H,3-4,6,10-13H2	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))	BDBM50410445 (CHEMBL2113100) Show SMILES C1CC(C=C(C1)C#Cc1ccccn1)N1CCOCC1 |c:3| Show InChI InChI=1S/C17H20N2O/c1-2-9-18-16(5-1)8-7-15-4-3-6-17(14-15)19-10-12-20-13-11-19/h1-2,5,9,14,17H,3-4,6,10-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	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