BDBM223311 123C4

SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1

InChI Key

Data  2 KI  12 Kd  9 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 = 223311   

TargetEphrin type-A receptor 3 [29-207](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223311(123C4)
Affinity DataKd:  4.55E+3nMpH: 6.5 T: 2°CAssay Description:The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 223311   

CellEphrin type-A receptor 3 ligand binding domain (EphA3-LBD)(Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

SyringePNGBDBM223311(123C4)
ITC DataΔG°: -7.30kcal/mole −TΔS°: -5.76kcal/mole ΔH°: -1.54kcal/mole logk: 2.07E+5
pH: 6.5 T: 27.00°C 
In DepthDetails ArticlePubMed