BDBM50064444 CHEMBL3401195

SMILES: Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O

InChI Key: InChIKey=NLNMCEXQEHYXBB-UHFFFAOYSA-N

Data: 5 IC50  8 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 13 hits for monomerid = 50064444   

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))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Negative allosteric modulation at mGluR3 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at mGluR2 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4) (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at mGluR4 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 6 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at mGluR6 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
GRM7 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at mGluR7 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
GRM8 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at mGluR8 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50064444 (CHEMBL3401195) Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation at mGluR1 (unknown origin)				Bioorg Med Chem Lett 25: 1310-7 (2015) Article DOI: 10.1016/j.bmcl.2015.01.038 BindingDB Entry DOI: 10.7270/Q2057HNQ
					More data for this Ligand-Target Pair