BDBM50047406 CHEMBL3310738

SMILES: CC1(C)CCn2nc(COc3ccccc3)cc2C1=O

InChI Key: InChIKey=SFSIFTHOKXOXHV-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 3 hits for monomerid = 50047406   

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))	BDBM50047406 (CHEMBL3310738) Show SMILES CC1(C)CCn2nc(COc3ccccc3)cc2C1=O Show InChI InChI=1S/C16H18N2O2/c1-16(2)8-9-18-14(15(16)19)10-12(17-18)11-20-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	87	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))	BDBM50047406 (CHEMBL3310738) Show SMILES CC1(C)CCn2nc(COc3ccccc3)cc2C1=O Show InChI InChI=1S/C16H18N2O2/c1-16(2)8-9-18-14(15(16)19)10-12(17-18)11-20-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	86	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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50047406 (CHEMBL3310738) Show SMILES CC1(C)CCn2nc(COc3ccccc3)cc2C1=O Show InChI InChI=1S/C16H18N2O2/c1-16(2)8-9-18-14(15(16)19)10-12(17-18)11-20-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+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