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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP [124-240]' and Ligand = 'BDBM228601'   
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
E3 ubiquitin-protein ligase XIAP [124-240]


(Artificial Sequence)		BDBM228601
PNG
(US9340573, 12)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@H](CNC(=O)Oc2ccccc2)Cc2cccnc12
Show InChI InChI=1S/C24H31N5O4/c1-15(2)20(28-22(30)16(3)25-4)23(31)29-18(13-17-9-8-12-26-21(17)29)14-27-24(32)33-19-10-6-5-7-11-19/h5-12,15-16,18,20,25H,13-14H2,1-4H3,(H,27,32)(H,28,30)/t16-,18-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.62n/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 US9340573 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FNT
More data for this
Ligand-Target Pair