SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 247.2
BDBM86213

Wt: 247.2
BDBM50094186

Wt: 247.2
BDBM50409036

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

Found 14 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 1 (RAT)	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP K_i Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development, Beerse Curated by PDSP K_i Database									Mol Pharmacol 63: 1082-93 (2003) Article DOI: 10.1124/mol.63.5.1082 BindingDB Entry DOI: 10.7270/Q2BV7F62
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Agonist potency against cloned human metabotropic glutamate receptor 1				J Med Chem 43: 2609-45 (2000) BindingDB Entry DOI: 10.7270/Q2DZ090Q
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50094186 ((-)1aS,7aS -2-Hydroxyimino-1a,2-dihydro-1H-7-oxa-c...) Show SMILES CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from mGluR5 in rat brain membrane				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Agonist potency against cloned metabotropic glutamate receptor 5				J Med Chem 43: 2609-45 (2000) BindingDB Entry DOI: 10.7270/Q2DZ090Q
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 8 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8).				J Med Chem 43: 2609-45 (2000) BindingDB Entry DOI: 10.7270/Q2DZ090Q
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 7 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Agonist potency against cloned Metabotropic glutamate receptor 7 (mGluR-7).				J Med Chem 43: 2609-45 (2000) BindingDB Entry DOI: 10.7270/Q2DZ090Q
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50094186 ((-)1aS,7aS -2-Hydroxyimino-1a,2-dihydro-1H-7-oxa-c...) Show SMILES CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells				Bioorg Med Chem 15: 903-14 (2006) Article DOI: 10.1016/j.bmc.2006.10.038 BindingDB Entry DOI: 10.7270/Q25D8SNC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Antagonist potency against cloned Metabotropic glutamate receptor 2				J Med Chem 43: 2609-45 (2000) BindingDB Entry DOI: 10.7270/Q2DZ090Q
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Agonist potency against cloned human Metabotropic glutamate receptor 4 (mGluR-4)				J Med Chem 43: 2609-45 (2000) BindingDB Entry DOI: 10.7270/Q2DZ090Q
The Royal Danish School of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50409036 (CHEMBL2111945) Show SMILES CCOC(=O)[C@]12C[C@H]1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells				J Med Chem 43: 4428-36 (2000) BindingDB Entry DOI: 10.7270/Q2988688
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells				J Med Chem 43: 4428-36 (2000) BindingDB Entry DOI: 10.7270/Q2988688
Novartis Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Labs Curated by ChEMBL					Assay Description Antagonist activity at human mGlu1b receptor				J Med Chem 50: 2563-8 (2007) Article DOI: 10.1021/jm060950g BindingDB Entry DOI: 10.7270/Q2XS5W7Q
Lilly Research Labs Curated by ChEMBL					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM86213 (CAS_5126051 \| CHEMBL327783 \| CPCCOEt \| NSC_5126051) Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of glutamate-evoked (10 uM) [Ca2+] mobilization in mGluR1-alpha expressed-CHO cells.				Bioorg Med Chem Lett 6: 763-766 (1996) Article DOI: 10.1016/0960-894X(96)00104-7 BindingDB Entry DOI: 10.7270/Q2WS8T7Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair