BDBM228840 PTHRct-8::QEEWETVM

SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(O)=O

InChI Key

Data  2 Kd  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 2 hits for monomerid = 228840   

TargetNa(+)/H(+) exchange regulatory cofactor NHE-RF1 [133-300](Homo sapiens (Human))
The University of Queensland

LigandPNGBDBM228840(PTHRct-8 | QEEWETVM)
Affinity DataKd:  9.70E+3nMpH: 8.0 T: 2°CAssay Description:ITC measurements were conducted on a Microcal iTC200 (Malvern Instruments) in buffer consisting of 25 mM Tris (pH 8.0) and 100 mM NaCl. Proteins were...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNa(+)/H(+) exchange regulatory cofactor NHE-RF1 [1-140](Homo sapiens (Human))
The University of Queensland

LigandPNGBDBM228840(PTHRct-8 | QEEWETVM)
Affinity DataKd:  1.17E+4nMpH: 8.0 T: 2°CAssay Description:ITC measurements were conducted on a Microcal iTC200 (Malvern Instruments) in buffer consisting of 25 mM Tris (pH 8.0) and 100 mM NaCl. Proteins were...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 228840   

CellNa+/H+ exchanger regulatory factor-1 PDZ domain (PDZ1)(Homo sapiens (Human))
The University of Queensland

SyringePNGBDBM228840(PTHRct-8 | QEEWETVM)
ITC DataΔG°: -6.69kcal/mole −TΔS°: 3.85kcal/mole ΔH°: -10.6kcal/mole logk: 8.55E+7
pH: 8.0 T: 25.00°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed
CellNa+/H+ exchanger regulatory factor-1 PDZ domain (PDZ2)(Homo sapiens (Human))
The University of Queensland

SyringePNGBDBM228840(PTHRct-8 | QEEWETVM)
ITC DataΔG°: -6.93kcal/mole −TΔS°: 14.7kcal/mole ΔH°: -21.6kcal/mole logk: 1.03E+8
pH: 8.0 T: 25.00°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed