BDBM50022180 5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2)::5,7-Dihydroxy-4-methyl-chromen-2-one::5,7-dihydroxy-4-methyl-2H-chromen-2-one::CHEMBL12252::Coumarin derivative, 1b

SMILES Cc1cc(=O)oc2cc(O)cc(O)c12

InChI Key InChIKey=QNVWGEJMXOQQPM-UHFFFAOYSA-N

Data  4 KI  2 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 6 hits for monomerid = 50022180   

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

LigandPNGBDBM50022180(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Affinity DataKi:  190nM ΔG°:  -8.52kcal/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 12(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022180(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Affinity DataKi:  6.40E+3nM ΔG°:  -6.58kcal/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.

LigandPNGBDBM50022180(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Affinity DataKi:  8.40E+3nM ΔG°:  -6.43kcal/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.

LigandPNGBDBM50022180(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
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
LigandPNGBDBM50022180(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Affinity DataIC50:  1.70E+4nMAssay Description:Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)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

LigandPNGBDBM50022180(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Affinity DataIC50:  4.72E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition assay using HCV NS5B.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed