BDBM50174558 7-hydroxy-2H-1-benzopyran-2-one::7-hydroxy-2H-chromen-2-one::CHEMBL51628::Coumarin derivative, 3a::beta-umbelliferone::hydrangin::skimmetin::umbelliferone

SMILES Oc1ccc2ccc(=O)oc2c1

InChI Key InChIKey=ORHBXUUXSCNDEV-UHFFFAOYSA-N

Data  17 KI  18 IC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 35 hits for monomerid = 50174558   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  25nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  45nMAssay Description:Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  478nMAssay Description:Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  480nMAssay Description:Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  482nMAssay Description:Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  750nMAssay Description:Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  754nMAssay Description:Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetZn finger protein(Nicotiana tabacum)
Università

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  754nMAssay Description:Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Dalian University Of Technology

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  3.81E+3nMAssay Description:Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  5.84E+4nMAssay Description:Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  5.84E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi:  5.84E+4nMAssay Description:Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Dalian University Of Technology

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  2.10E+4nMAssay Description:Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Monastir

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  4.67E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University Of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  5.01E+5nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
Universidade Federal De Minas Gerais

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  6.17E+5nMAssay Description:Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Monastir

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  2.90E+7nMAssay Description:Inhibition of AChE by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlyceraldehyde-3-phosphate dehydrogenase, glycosomal(Trypanosoma cruzi)
Universidade De S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  6.17E+5nMAssay Description:Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  1.40E+5nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50: >1.23E+5nMAssay Description:Inhibitory activity against 5-alpha-reductase type 1 in cell culture system using LNCaP cells (androgen-sensitive human prostatic cancer cell line)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosinase(Homo sapiens (Human))
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  4.20E+5nMAssay Description:Inhibition of tyrosinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSorbitol dehydrogenase(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  1.20E+5nMAssay Description:Inhibition sorbitol dehydrogenase by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  2.29E+4nMAssay Description:Inhibition human recombinant aldose reductase 1 by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetXanthine dehydrogenase/oxidase(Homo sapiens (Human))
Università

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  2.36E+5nMAssay Description:Inhibition of xanthine oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSeed linoleate 13S-lipoxygenase-1(Glycine max (soybean))
Aristotle University Of Thessaloniki

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  4.30E+4nMAssay Description:Inhibitory concentration against soybean lipoxygenase upon incubation with sodium linoleate (0.1 mM) at RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Mazandaran University Of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  4.20E+5nMAssay Description:Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated with enzyme for 10 mins follow...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate BK) (HCV))
Umdnj-New Jersey Medical School

LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50:  3.66E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition assay using HCV NS5B.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM50174558(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed