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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl2-associated agonist of cell death' and Ligand = 'BDBM50372175'   
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
Bcl2-associated agonist of cell death


(Homo sapiens (Human))
BDBM50372175
PNG
(CHEMBL272110)
Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1
Show InChI InChI=1S/C40H30Br2N2O6S4/c41-29-15-11-27(12-16-29)23-33-35(45)43(39(51)53-33)31(21-25-7-3-1-4-8-25)37(47)49-19-20-50-38(48)32(22-26-9-5-2-6-10-26)44-36(46)34(54-40(44)52)24-28-13-17-30(42)18-14-28/h1-18,23-24,31-32H,19-22H2/b33-23-,34-24-/t31-,32-/m0/s1
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PC sid
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Similars

Article
PubMed
1.34E+5n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl


Bioorg Med Chem Lett 18: 236-40 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S
More data for this
Ligand-Target Pair