BDBM50132507 CHEMBL3633943

SMILES: CC(=O)N1CCCn2nc(COc3ccccc3)cc12

InChI Key: InChIKey=RVWOJJBVBVIEID-UHFFFAOYSA-N

Data: 4 IC50  11 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 15 hits for monomerid = 50132507   

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 (Rattus norvegicus (Rat))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (5.6-59.1)				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description In vitro binding affinity for PPAR-alpha				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.6-1.5)				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor alpha in COS-7 cells co-expressing DR5-tk-CAT reporter				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.5)				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor gamma in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.3)				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description In vitro binding affinity for PPAR-alpha				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4) (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description In vitro binding affinity for PPAR-alpha				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 6 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description In vitro binding affinity for PPAR-alpha				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
GRM7 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description In vitro binding affinity for PPAR-gamma				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
GRM8 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against human PPAR-alpha in Gal4 transactivation assay				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50132507 (CHEMBL3633943) Show SMILES CC(=O)N1CCCn2nc(COc3ccccc3)cc12 Show InChI InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	363	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (6.1-9.8)				Bioorg Med Chem Lett 25: 5115-20 (2015) BindingDB Entry DOI: 10.7270/Q2445P80
					More data for this Ligand-Target Pair