BDBM7 2-methylcyclohexan-1-one::2-methylcyclohexanone

SMILES CC1CCCCC1=O

InChI Key InChIKey=LFSAPCRASZRSKS-UHFFFAOYSA-N

Data  4 KI  2 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 7   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Artvin£oruh University

Curated by ChEMBL
LigandPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
Affinity DataKi:  420nMAssay Description:Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Artvin£oruh University

Curated by ChEMBL
LigandPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
Affinity DataKi:  8.61E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Artvin£oruh University

Curated by ChEMBL
LigandPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
Affinity DataKi:  8.93E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Artvin£oruh University

Curated by ChEMBL
LigandPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
Affinity DataKi:  4.27E+5nMAssay Description:Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 7   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
ITC DataΔG°: -2.01kcal/mole −TΔS°: 0.142kcal/mole ΔH°: -2.13kcal/mole logk: 30
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
ITC DataΔG°: -3.75kcal/mole −TΔS°: -0.498kcal/mole ΔH°: -3.27kcal/mole logk: 552
pH: 6.9 T: 25.00°C 
In DepthDetails