BDBM197287 SAMPL4, OA

SMILES OC(=O)CC[C@H]1c2cc3[C@@H](CCC(O)=O)c4cc5[C@@H](CCC(O)=O)c6cc7[C@@H](CCC(O)=O)c8cc1c1O[C@@H]9Oc2cc3O[C@@H]2Oc4cc5O[C@@H]3Oc6cc7O[C@H](Oc8c1)c1cc4Oc5cc(Oc6cc(Oc7cc(Oc8cc(Oc%10cc(Oc%11cc(Oc%12cc(Oc(c4)c1)cc(c%12)C(O)=O)cc3c%11)cc(c%10)C(O)=O)cc2c8)cc(c7)C(O)=O)cc9c6)cc(c5)C(O)=O

InChI Key InChIKey=QRBHFBLGTROTMF-QGTHAALQSA-N

Data  15 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 15 hits for monomerid = 197287   

HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197302(Benzoic acid | SAMPL4, O1)
ITC DataΔG°: -3.73kcal/mole logk: 540
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197303(4-Methylbenzoic acid | SAMPL4, O2)
ITC DataΔG°: -5.97kcal/mole logk: 2.00E+4
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197304(SAMPL4, O3)
ITC DataΔG°: -6.28kcal/mole logk: 4.00E+4
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

ITC DataΔG°: -6.71kcal/mole logk: 8.50E+4
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

ITC DataΔG°: -5.25kcal/mole logk: 7.10E+3
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197305(SAMPL4, O6)
ITC DataΔG°: -5.49kcal/mole logk: 1.30E+4
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197306(SAMPL4, O7)
ITC DataΔG°: -7.64kcal/mole logk: 3.80E+5
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197307(SAMPL4, O8)
ITC DataΔG°: -3.73kcal/mole logk: 540
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197308(SAMPL4, O9)
ITC DataΔG°: -6.62kcal/mole logk: 7.00E+4
pH: 9.2 T: 24.85°C 
Cell InfoPC cidPC sid
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197311(SAMPL5, OA-G1)
ITC DataΔG°: -5.04kcal/mole logk: 5.00E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM50340078(CHEMBL1762660 | SAMPL5, OA-G2 | sodium 4-cyanobenz...)
ITC DataΔG°: -4.25kcal/mole logk: 1.31E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM50055166(CHEMBL136229 | CHEMBL150054 | Hexyl-trimethyl-ammo...)
ITC DataΔG°: -5.06kcal/mole logk: 5.16E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197312(SAMPL5, OA-G4)
ITC DataΔG°: -9.36kcal/mole logk: 7.43E+6
pH: 11.5 T: 24.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197313(SAMPL5, OA-G5)
ITC DataΔG°: -4.49kcal/mole logk: 2.00E+3
pH: 11.3 T: 24.85°C 
Cell InfoPC cidPC sid
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
HostPNGBDBM197287(SAMPL4, OA)
University Of California San Diego

GuestPNGBDBM197314(SAMPL5, OA-G6)
ITC DataΔG°: -5.33kcal/mole logk: 8.15E+3
pH: 11.5 T: 24.85°C 
Cell InfoPC cidPC sid
In DepthDetails ArticlePubMed