BDBM50022184 7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3)::7,8-Dihydroxy-4-methyl-chromen-2-one::7,8-dihydroxy-4-methyl-2H-chromen-2-one::7,8-dihydroxy-4-methylcoumarin::CHEMBL276618

SMILES Cc1cc(=O)oc2c(O)c(O)ccc12

InChI Key InChIKey=NWQBYMPNIJXFNQ-UHFFFAOYSA-N

Data  5 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50022184   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataKi:  270nM ΔG°:  -8.32kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...More 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
LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataKi:  2.11E+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 12(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataKi:  6.60E+3nM ΔG°:  -6.56kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataKi:  8.70E+3nM ΔG°:  -6.41kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataKi: >2.00E+5nM ΔG°: >-4.69kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataIC50:  1.00E+4nMAssay Description:Compound was tested for inhibitory concentration against rat lens aldose reductase (uncompetitive inhibition type)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProbable maltase-glucoamylase 2(Homo sapiens)
Goa University

Curated by ChEMBL
LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataIC50:  5.20E+4nMAssay Description:Inhibition of alpha-glucosidase (unknown origin) incubated for 20 mins before pNPG substrate addition and measured after 30 mins by UV spectrometryMore 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
LigandPNGBDBM50022184(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Affinity DataIC50:  1.12E+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