SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 314.2
BDBM50049394

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

Found 12 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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [3H]-PIA binding from adenosine A1 receptor in rat brain membranes.				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Ability to displace [3H]N6-phenylisopropyladenosine binding from adenosine A1 receptor.				J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement.				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor.				J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.				J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Sus scrofa (pig))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine DPP4 after 30 mins by luminescence assay				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
INIFTA (UNLP, CCT La Plata-CONICET) Curated by ChEMBL					Assay Description Inhibition of rat lens aldose reductase				Bioorg Med Chem 16: 7470-6 (2008) Article DOI: 10.1016/j.bmc.2008.06.004 BindingDB Entry DOI: 10.7270/Q2862HQJ
INIFTA (UNLP, CCT La Plata-CONICET) Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil cytosol factor 1 [S99G] (Homo sapiens (Human))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabG				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method				Bioorg Med Chem 23: 668-80 (2015) Article DOI: 10.1016/j.bmc.2015.01.005 BindingDB Entry DOI: 10.7270/Q24T6M2R
Sichuan University Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50049394 (5,4'-Dihydroxy-6,7-dimethoxyflavone \| 5-Hydroxy-2-...) Show SMILES COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll Curated by ChEMBL					Assay Description Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...				Eur J Med Chem 135: 307-323 (2017) Article DOI: 10.1016/j.ejmech.2017.04.054 BindingDB Entry DOI: 10.7270/Q2H41TX2
					More data for this Ligand-Target Pair