BDBM50168010 4-Hydroxypentanoic acid lactone::4-Hydroxyvaleric acid lactone::4-Methyl-4-hydroxybutanoic acid lactone::4-Methyl-gamma-butyrolactone::4-Pentanolide::4-Valerolactone::5-methyldihydrofuran-2(3H)-one::CHEMBL195593::dihydro-5-methyl-2(3H)-furanone::gamma-Pentalactone::gamma-Pentanolactone::gamma-valerolactone

SMILES CC1CCC(=O)O1

InChI Key InChIKey=GAEKPEKOJKCEMS-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50168010   

TargetCytochrome P450 1A2(Human)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50168010(5-methyldihydrofuran-2(3H)-one | gamma-valerolacto...)
Affinity DataIC50: 1.50E+7nMAssay Description:Inhibitory concentration against recombinant human cytochrome P450 1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50168010(5-methyldihydrofuran-2(3H)-one | gamma-valerolacto...)
Affinity DataKi:  920nMAssay Description:Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50168010(5-methyldihydrofuran-2(3H)-one | gamma-valerolacto...)
Affinity DataKi:  4.69E+3nMAssay Description:Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50168010(5-methyldihydrofuran-2(3H)-one | gamma-valerolacto...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed