BindingDB PrimarySearch

BDBM50049395 5,7,4'-Trihydroxy-6-methoxyflavone::5,7-Dihydroxy-2-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one::5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one::6-methoxy apigenin::6-methoxyapigenin::CHEMBL293776::Hispidulin::NSC-122415::TCMDC-123942::cid_5281628::dinatin

SMILES: COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1

InChI Key: InChIKey=IHFBPDAQLQOCBX-UHFFFAOYSA-N

Data: 4 KI 12 IC50 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50049395
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.61E+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))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.62E+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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.48E+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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.59E+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
Cell division protein kinase 5 (Rattus norvegicus)	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Inhibition of rat fetal brain CDK5 assessed as phosphorylated histone H1 levels by immuno-precipitation				J Nat Prod 67: 416-20 (2004) Article DOI: 10.1021/np034011s BindingDB Entry DOI: 10.7270/Q2ZP45WF
University of Chile Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a
Institute of Chinese Materia Medica Curated by ChEMBL					Assay Description Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay				J Nat Prod 77: 1594-600 (2014) Article DOI: 10.1021/np500150f BindingDB Entry DOI: 10.7270/Q2D2208C
Institute of Chinese Materia Medica Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan Academia Sinica Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged Pim-1 (unknown origin) expressed in Escherichia coli BL21 (DE3)				J Nat Prod 78: 1969-76 (2015) BindingDB Entry DOI: 10.7270/Q24B3331
Taiwan Academia Sinica Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase IV (Sus scrofa (pig))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	490	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
Neuraminidase (Influenza A virus)	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay				Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D
Peking Union Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay				Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D
Peking Union Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay				Bioorg Med Chem 16: 7141-7 (2008) Article DOI: 10.1016/j.bmc.2008.06.049 BindingDB Entry DOI: 10.7270/Q2R2145D
Peking Union Medical College Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay				Eur J Med Chem 45: 1724-30 (2010) Article DOI: 10.1016/j.ejmech.2010.01.005 BindingDB Entry DOI: 10.7270/Q27P926M
Universidad de Buenos Aires Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+10	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay				Eur J Med Chem 45: 1724-30 (2010) Article DOI: 10.1016/j.ejmech.2010.01.005 BindingDB Entry DOI: 10.7270/Q27P926M
Universidad de Buenos Aires Curated by ChEMBL					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZG6QV9
					More data for this Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1 (Homo sapiens (Human))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>834	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q23777B0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli after 60 mins by ELISA				Bioorg Med Chem 27: 677-685 (2019) Article DOI: 10.1016/j.bmc.2019.01.027
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	37
Eberhard Karls University of Tuebingen					Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...				Chembiochem 11: 2579-88 (2010) Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT
Eberhard Karls University of Tuebingen					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50049395 (5,7,4'-Trihydroxy-6-methoxyflavone \| 5,7-Dihydroxy...) Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	37
Eberhard Karls University of Tuebingen					Assay Description The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C. For the JNK3 assay, kinase (10n...				Chembiochem 11: 2579-88 (2010) Article DOI: 10.1002/cbic.201000487 BindingDB Entry DOI: 10.7270/Q21C1VDT
Eberhard Karls University of Tuebingen					More data for this Ligand-Target Pair