SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.3
BDBM50278662

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

Found 10 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))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil...				Bioorg Med Chem Lett 29: 2670-2674 (2019) Article DOI: 10.1016/j.bmcl.2019.07.030 BindingDB Entry DOI: 10.7270/Q2KP85HM
Vanderbilt University Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Rattus norvegicus (Rat))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	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))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	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))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux preincuba...				Bioorg Med Chem Lett 29: 2670-2674 (2019) Article DOI: 10.1016/j.bmcl.2019.07.030 BindingDB Entry DOI: 10.7270/Q2KP85HM
Vanderbilt University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis				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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis				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))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	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 mGlu2 receptor expressed in HEK293 cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calc...				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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis				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))	BDBM50278662 (CHEMBL4172540) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	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