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BDBM50331544 7H-furo[3,2-g]chromen-7-one::CHEMBL164660::Furo[3,2-g]chromen-7-one::psoralen

SMILES: O=c1ccc2cc3ccoc3cc2o1

InChI Key: InChIKey=ZCCUUQDIBDJBTK-UHFFFAOYSA-N

Data: 1 KI  8 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50331544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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PubMed
600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation


Curr Drug Metab 6: 413-54 (2005)


Article DOI: 10.2174/138920005774330639
BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a>5.00E+5n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a 3.00E+3n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotom...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a 6.48E+3n/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by s...


Bioorg Med Chem Lett 23: 4248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.081
BindingDB Entry DOI: 10.7270/Q29W0JCX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a 2.95E+4n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's metho...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a>6.00E+4n/an/an/an/an/an/a



Sunchon National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate after 30 mins by spectrophoto...


Bioorg Med Chem Lett 29: 839-843 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.016
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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PubMed
n/an/a>1.50E+5n/an/an/an/a8.0n/a



Gyeongsang National University



Assay Description
Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...


J Enzyme Inhib Med Chem 29: 59-63 (2014)


Article DOI: 10.3109/14756366.2012.753591
BindingDB Entry DOI: 10.7270/Q21835FQ
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a 2.13E+4n/an/an/an/an/an/a



R.C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin)


Bioorg Med Chem 21: 2434-50 (2013)


Article DOI: 10.1016/j.bmc.2013.02.017
BindingDB Entry DOI: 10.7270/Q25T3PCS
More data for this
Ligand-Target Pair