BDBM8 (1R)-cyclohexane-1,2-diol::cis-1,2-cyclohexanediol::trans-1,2-cyclohexanediol

SMILES OC1CCCC[C@H]1O

InChI Key InChIKey=PFURGBBHAOXLIO-LWOQYNTDSA-N

Data  1 IC50  4 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 8   

TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of c-SRCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 8   

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

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -1.65kcal/mole −TΔS°: 0.997kcal/mole ΔH°: -2.63kcal/mole logk: 16
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -1.67kcal/mole −TΔS°: 0.926kcal/mole ΔH°: -2.63kcal/mole logk: 17
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -3.32kcal/mole −TΔS°: -0.997kcal/mole ΔH°: -2.34kcal/mole logk: 267
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -2.72kcal/mole −TΔS°: -1.71kcal/mole ΔH°: -1.05kcal/mole logk: 100
pH: 6.9 T: 25.00°C 
In DepthDetails