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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' and Ligand = 'BDBM50465637'   
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


(Homo sapiens (Human))		BDBM50465637
PNG
(CHEMBL4279856)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C26H39N5O4/c1-17(28-2)24(33)30-22(19-12-7-4-8-13-19)26(35)31-15-9-14-21(31)25(34)29-20(23(27)32)16-18-10-5-3-6-11-18/h3,5-6,10-11,17,19-22,28H,4,7-9,12-16H2,1-2H3,(H2,27,32)(H,29,34)(H,30,33)/t17-,20-,21-,22-/m0/s1
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 354n/an/an/an/an/a



University of California Riverside

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...

J Med Chem 61: 6350-6363 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00810
BindingDB Entry DOI: 10.7270/Q29W0J4S
More data for this
Ligand-Target Pair