BDBM50156693 6-Methoxy-7-hydroxycoumarin::6-Methylesculetin::6-O-Methylesculetin::7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one::7-hydroxy-6-methoxy-2H-chromen-2-one::CHEMBL71851::scopoletin

SMILES: COc1cc2ccc(=O)oc2cc1O

InChI Key: InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N

Data: 6 KI  11 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50156693   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1539-43 (2013) Article DOI: 10.1016/j.bmc.2012.07.021 BindingDB Entry DOI: 10.7270/Q2S75HNS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate incubated 10 mins prior to substrate addition measured after 10 mins b...				Bioorg Med Chem 22: 1262-7 (2014) Article DOI: 10.1016/j.bmc.2014.01.010 BindingDB Entry DOI: 10.7270/Q2MG7R0S
					More data for this Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.57E+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
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition sorbitol dehydrogenase by spectrophotometric analysis				Bioorg Med Chem Lett 20: 5630-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.038 BindingDB Entry DOI: 10.7270/Q28052TK
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis				Bioorg Med Chem Lett 20: 5630-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.038 BindingDB Entry DOI: 10.7270/Q28052TK
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Oryctolagus cuniculus (rabbit))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tahitian Noni International Curated by ChEMBL					Assay Description Inhibition of 15LOX in rabbit reticulocytes by EIA assay				J Nat Prod 70: 859-62 (2007) Article DOI: 10.1021/np0605539 BindingDB Entry DOI: 10.7270/Q2J38S79
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Tahitian Noni International Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 expressed in insect Sf21 cells by EIA assay				J Nat Prod 70: 859-62 (2007) Article DOI: 10.1021/np0605539 BindingDB Entry DOI: 10.7270/Q2J38S79
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Leopold-Franzens University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of AChE by microplate assay				J Med Chem 47: 6248-54 (2004) Article DOI: 10.1021/jm049655r BindingDB Entry DOI: 10.7270/Q25B020F
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50156693 (6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...) Show SMILES COc1cc2ccc(=O)oc2cc1O Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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
Tahitian Noni International Curated by ChEMBL					Assay Description Inhibition of 5LOX in human PBMC by EIA assay				J Nat Prod 70: 859-62 (2007) Article DOI: 10.1021/np0605539 BindingDB Entry DOI: 10.7270/Q2J38S79
					More data for this Ligand-Target Pair