null

SMILES: O=C1CCCn2nc(COc3ccccc3)cc12

InChI Key: InChIKey=ZFWHPXUPLYPULM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50047394   

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))	BDBM50047394 (CHEMBL3309848) Show SMILES O=C1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C14H14N2O2/c17-14-7-4-8-16-13(14)9-11(15-16)10-18-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 24: 3641-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.087 BindingDB Entry DOI: 10.7270/Q2GT5PT5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50047394 (CHEMBL3309848) Show SMILES O=C1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C14H14N2O2/c17-14-7-4-8-16-13(14)9-11(15-16)10-18-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	129	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 24: 3641-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.087 BindingDB Entry DOI: 10.7270/Q2GT5PT5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50047394 (CHEMBL3309848) Show SMILES O=C1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C14H14N2O2/c17-14-7-4-8-16-13(14)9-11(15-16)10-18-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	129	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 24: 3641-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.087 BindingDB Entry DOI: 10.7270/Q2GT5PT5
					More data for this Ligand-Target Pair