BDBM50167999 4,6-Dimethyl-pyran-2-one::CHEMBL372284

SMILES Cc1cc(C)oc(=O)c1

InChI Key InChIKey=IXYLIUKQQQXXON-UHFFFAOYSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50167999   

TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50167999(4,6-Dimethyl-pyran-2-one | CHEMBL372284)
Affinity DataKi:  2.47E+3nMAssay 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
LigandPNGBDBM50167999(4,6-Dimethyl-pyran-2-one | CHEMBL372284)
Affinity DataKi:  1.91E+4nMAssay 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
LigandPNGBDBM50167999(4,6-Dimethyl-pyran-2-one | CHEMBL372284)
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
TargetCytochrome P450 1A2(Human)
University of Kuopio

Curated by ChEMBL
LigandPNGBDBM50167999(4,6-Dimethyl-pyran-2-one | CHEMBL372284)
Affinity DataIC50: 4.50E+6nMAssay 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