SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 344.3
BDBM50278654

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50278654 (CHEMBL4174544 \| US10399948, Compound 15) Show SMILES Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description Gα15/TREx cells stably expressing rat mGlu3 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of a...				US Patent US10399948 (2019) BindingDB Entry DOI: 10.7270/Q2794726
Vanderbilt University US Patent					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50278654 (CHEMBL4174544 \| US10399948, Compound 15) Show SMILES Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	427	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description HEK 293A cells stably expressing rat mGlu5 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of assay m...				US Patent US10399948 (2019) BindingDB Entry DOI: 10.7270/Q2794726
Vanderbilt University US Patent					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50278654 (CHEMBL4174544 \| US10399948, Compound 15) Show SMILES Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu...				ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50278654 (CHEMBL4174544 \| US10399948, Compound 15) Show SMILES Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calciu...				ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Rattus norvegicus)	BDBM50278654 (CHEMBL4174544 \| US10399948, Compound 15) Show SMILES Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description Gα15 HEK293 cells stably expressing rat mGlu2 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 μL of...				US Patent US10399948 (2019) BindingDB Entry DOI: 10.7270/Q2794726
Vanderbilt University US Patent					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50278654 (CHEMBL4174544 \| US10399948, Compound 15) Show SMILES Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as increase in glutamate induced-calcium mobilization preinc...				ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50278654 (CHEMBL4174544 \| US10399948, Compound 15) Show SMILES Fc1ccc(cc1F)-n1ccc(OCCOc2ccccc2)nc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as increase in glutamate induced-calcium mobilization preinc...				ACS Med Chem Lett 8: 925-930 (2017) Article DOI: 10.1021/acsmedchemlett.7b00249 BindingDB Entry DOI: 10.7270/Q2ZP48NJ
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair