SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 238.2
BDBM50104891

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

Found 15 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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 276-282 (2018) Article DOI: 10.1016/j.ejmech.2017.11.061 BindingDB Entry DOI: 10.7270/Q2DZ0BVB
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 276-282 (2018) Article DOI: 10.1016/j.ejmech.2017.11.061 BindingDB Entry DOI: 10.7270/Q2DZ0BVB
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 276-282 (2018) Article DOI: 10.1016/j.ejmech.2017.11.061 BindingDB Entry DOI: 10.7270/Q2DZ0BVB
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 276-282 (2018) Article DOI: 10.1016/j.ejmech.2017.11.061 BindingDB Entry DOI: 10.7270/Q2DZ0BVB
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Chemical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human 17beta-HSD3 expressed in HeLa cells				Bioorg Med Chem Lett 20: 272-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.111 BindingDB Entry DOI: 10.7270/Q2SF2W8B
Sumitomo Chemical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of hamster liver aldehyde dehydrogenase ALDH-2				J Med Chem 44: 3320-8 (2001) BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	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
University of Toyama Curated by ChEMBL					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.16E+4	n/a	n/a	n/a	n/a	7.0	30
UMDNJ-New Jersey Medical School					Assay Description Inhibition assay using HCV NS5B.				Chem Biol Drug Des 81: 607-14 (2013) Article DOI: 10.1111/cbdd.12105 BindingDB Entry DOI: 10.7270/Q2R78CT6
UMDNJ-New Jersey Medical School					More data for this Ligand-Target Pair
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.07E+4	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
University of Toyama Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosinase precursor (Danio rerio)	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nis Curated by ChEMBL					Assay Description Inhibition of zebrafish embryo tyrosinase assessed as melanin production after 48 hrs				Bioorg Med Chem 25: 6286-6296 (2017) Article DOI: 10.1016/j.bmc.2017.09.021 BindingDB Entry DOI: 10.7270/Q28G8P7C
University of Nis Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosinase precursor (Danio rerio)	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nis Curated by ChEMBL					Assay Description Inhibition of zebrafish embryo tyrosinase assessed as residual activity after 48 hrs				Bioorg Med Chem 25: 6286-6296 (2017) Article DOI: 10.1016/j.bmc.2017.09.021 BindingDB Entry DOI: 10.7270/Q28G8P7C
University of Nis Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50104891 (7-Hydroxy-4-phenyl-chromen-2-one \| 7-hydroxy-4-phe...) Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair