BDBM34571 6,7-bis(oxidanyl)chromen-2-one::6,7-dihydroxy-1-benzopyran-2-one::6,7-dihydroxychromen-2-one::CHEMBL244743::MLS000069479::SMR000059055::cid_5281416::esculetin

SMILES Oc1cc2ccc(=O)oc2cc1O

InChI Key InChIKey=ILEDWLMCKZNDJK-UHFFFAOYSA-N

Data  6 KI  10 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 34571   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataKi:  9.30nMAssay 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
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataKi:  36nMAssay 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
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Dalian University Of Technology

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataKi:  1.49E+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 2(Homo sapiens (Human))
University Of Messina

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
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
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
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
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Wuhan University

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataKi:  1.84E+5nMAssay Description:Inhibition of MIF tautomerase (unknown origin) using 4-HPP as substrate preincubated for 1 hr followed by substrate addition by Lineweaver-Burk plot ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  5.70E+4nMAssay Description:Inhibition of COX1More 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
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  8.77E+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
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Wuhan University

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  2.11E+5nMAssay Description:Inhibition of MIF tautomerase (unknown origin) using 4-HPP as substrate preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSorbitol dehydrogenase(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  8.29E+4nMAssay 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
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  6.72E+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
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  8.20E+3nMAssay Description:Inhibition of xanthine oxidaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Kinki University

Curated by ChEMBL
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
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
TargetLarge T antigen(Simian virus 40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  2.59E+4nMAssay Description:A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34571(6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-b...)
Affinity DataIC50:  5.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay