BDBM197309 SAMPL5, OAMe::SAMPL5, TEMOA

SMILES Cc1c2O[C@H]3Oc4c(C)c5O[C@H]6Oc7c(C)c8O[C@H]9Oc%10c(C)c%11O[C@@H](Oc1c1cc2[C@H](CCC(O)=O)c4cc5[C@H](CCC(O)=O)c7cc8[C@H](CCC(O)=O)c%10cc%11[C@@H]1CCC(O)=O)c1cc2Oc4cc(Oc5cc(Oc7cc(Oc8cc(Oc%10cc(Oc%11cc(Oc%12cc(Oc(c2)c1)cc(c%12)C(O)=O)cc3c%11)cc(c%10)C(O)=O)cc6c8)cc(c7)C(O)=O)cc9c5)cc(c4)C(O)=O

InChI Key InChIKey=MVNXUSDPYWFWLZ-CCVJMLEZSA-N

Data  6 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 -- ITC Data from BindingDB

Found 6 hits for monomerid = 197309   

HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM197311(SAMPL5, OA-G1)
ITC DataΔG°: -5.23kcal/mole logk: 6.94E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM50340078(CHEMBL1762660 | SAMPL5, OA-G2 | sodium 4-cyanobenz...)
ITC DataΔG°: -5.04kcal/mole logk: 4.96E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM50055166(CHEMBL136229 | CHEMBL150054 | Hexyl-trimethyl-ammo...)
ITC DataΔG°: -5.95kcal/mole logk: 2.31E+4
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM197312(SAMPL5, OA-G4)
ITC DataΔG°: -2.38kcal/mole logk: 55.8
pH: 11.3 T: 4.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM197313(SAMPL5, OA-G5)
ITC DataΔG°: -3.89kcal/mole logk: 729
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197309(SAMPL5, OAMe | SAMPL5, TEMOA)
University Of California San Diego

GuestPNGBDBM197314(SAMPL5, OA-G6)
ITC DataΔG°: -4.51kcal/mole logk: 2.05E+3
pH: 11.5 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed