BDBM197310 SAMPL5, CBClip

SMILES C[C@@]12N3Cc4cc5c(OCCCS([O-])(=O)=O)ccc(OCCCS([O-])(=O)=O)c5cc4CN1C(=O)N1CN4C(=O)N5Cc6cc7c(OCCCS([O-])(=O)=O)ccc(OCCCS([O-])(=O)=O)c7cc6CN6C(=O)N(CN(C3=O)[C@]21C)[C@@]4(C)[C@]56C

InChI Key InChIKey=RSPRYJNTSGJJAB-MRYQMSSLSA-J

Data  10 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 10 hits for monomerid = 197310   

HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197288(SAMPL4, C1 | SAMPL5, CBC-G1)
ITC DataΔG°: -5.83kcal/mole logk: 1.90E+4
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197315(SAMPL5, CBC-G2)
ITC DataΔG°: -2.51kcal/mole logk: 70
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197316(SAMPL5, CBC-G3)
ITC DataΔG°: -4.01kcal/mole logk: 880
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197317(SAMPL5, CBC-G4)
ITC DataΔG°: -7.24kcal/mole logk: 2.00E+5
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197318(SAMPL5, CBC-G5)
ITC DataΔG°: -8.53kcal/mole logk: 1.80E+6
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197319(SAMPL5, CBC-G6)
ITC DataΔG°: -8.65kcal/mole logk: 2.20E+6
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197320(SAMPL5, CBC-G7)
ITC DataΔG°: -5.16kcal/mole logk: 6.20E+3
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197321(SAMPL5, CBC-G8)
ITC DataΔG°: -6.16kcal/mole logk: 3.30E+4
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM197322(SAMPL5, CBC-G9)
ITC DataΔG°: -7.38kcal/mole logk: 2.60E+5
pH: 7.4 T: 24.85°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197310(SAMPL5, CBClip)
University Of California San Diego

GuestPNGBDBM50241461(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
ITC DataΔG°: -10.3kcal/mole logk: 3.90E+7
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed