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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 = 'BDBM50465656'   
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))		BDBM50465656
PNG
(CHEMBL4295015)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(c(F)c1)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C28H33F4N5O4/c1-16(34-2)25(39)36-22(15-18-10-11-19(20(29)13-18)28(30,31)32)27(41)37-12-6-9-23(37)26(40)35-21(24(33)38)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,21-23,34H,6,9,12,14-15H2,1-2H3,(H2,33,38)(H,35,40)(H,36,39)/t16-,21-,22-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 155n/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