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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'XIAP protein BIR2' and Ligand = 'BDBM242850'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
XIAP protein BIR2


(Artificial Sequence)
BDBM242850
PNG
(US9422332, 10)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C25H30F2N4O3/c1-5-14(2)20(29-23(32)15(3)28-4)25(34)31-13-16-9-6-7-10-17(16)22(31)24(33)30-21-18(26)11-8-12-19(21)27/h6-12,14-15,20,22,28H,5,13H2,1-4H3,(H,29,32)(H,30,33)/t14-,15-,20-,22-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/a7.537



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6× Hist...


US Patent US9422332 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NJK
More data for this
Ligand-Target Pair