BindingDB PrimarySearch

BDBM50240512 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one::CHEMBL52229::Osthol::osthole

SMILES: [#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key: InChIKey=MBRLOUHOWLUMFF-UHFFFAOYSA-N

Data: 7 IC50 1 EC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50240512
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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universität Düsseldorf Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase				J Nat Prod 61: 347-50 (1998) Article DOI: 10.1021/np970430b BindingDB Entry DOI: 10.7270/Q2PN95D7
Heinrich-Heine-Universität Düsseldorf Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universität Düsseldorf Curated by ChEMBL					Assay Description Inhibition of COX1				J Nat Prod 61: 347-50 (1998) Article DOI: 10.1021/np970430b BindingDB Entry DOI: 10.7270/Q2PN95D7
Heinrich-Heine-Universität Düsseldorf Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay				Bioorg Med Chem 20: 784-8 (2012) Article DOI: 10.1016/j.bmc.2011.12.002 BindingDB Entry DOI: 10.7270/Q2F47PKK
Kinki University Curated by ChEMBL					More data for this Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Positive allosteric modulation of human GABA-A alpha1beta2gamma2S receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced c...				Eur J Med Chem 171: 434-461 (2019) Article DOI: 10.1016/j.ejmech.2019.03.043
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50				Bioorg Med Chem Lett 14: 2199-204 (2004) Article DOI: 10.1016/j.bmcl.2004.02.025 BindingDB Entry DOI: 10.7270/Q20K2810
Universidade Federal de Minas Gerais Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 3 mins followed by substrate addition measured immediately				J Nat Prod 80: 2472-2477 (2017) Article DOI: 10.1021/acs.jnatprod.7b00322 BindingDB Entry DOI: 10.7270/Q29Z97DR
Michigan State University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Michigan State University Curated by ChEMBL					Assay Description Antagonistic potency for NK-3 receptor was determined in vitro using isolated rat portal vein.				J Nat Prod 80: 2472-2477 (2017) Article DOI: 10.1021/acs.jnatprod.7b00322 BindingDB Entry DOI: 10.7270/Q29Z97DR
Michigan State University Curated by ChEMBL					More data for this Ligand-Target Pair
Exportin-1 (Homo sapiens (Human))	BDBM50240512 (7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one \| ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Inhibition of CRM1-mediated hemagglutinin-tagged HIV1 Rev protein nuclear export in human HeLa cells assessed as nucleus localization after 12 hrs by...				Bioorg Med Chem Lett 20: 3717-20 (2010) Article DOI: 10.1016/j.bmcl.2010.04.081 BindingDB Entry DOI: 10.7270/Q21G0MF1
Osaka University Curated by ChEMBL					More data for this Ligand-Target Pair