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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50265708'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50265708
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C71H123N25O24S/c1-11-33(6)54(66(116)83-31-50(102)87-43(27-51(103)104)63(113)91-44(28-52(105)106)64(114)95-55(34(7)12-2)67(117)92-42(26-47(75)99)62(112)90-41(69(119)120)17-15-24-81-71(78)79)96-68(118)56(35(8)13-3)94-57(107)36(9)84-58(108)40(22-25-121-10)89-60(110)39(19-21-46(74)98)88-59(109)37(16-14-23-80-70(76)77)86-49(101)30-82-65(115)53(32(4)5)93-61(111)38(18-20-45(73)97)85-48(100)29-72/h32-44,53-56H,11-31,72H2,1-10H3,(H2,73,97)(H2,74,98)(H2,75,99)(H,82,115)(H,83,116)(H,84,108)(H,85,100)(H,86,101)(H,87,102)(H,88,109)(H,89,110)(H,90,112)(H,91,113)(H,92,117)(H,93,111)(H,94,107)(H,95,114)(H,96,118)(H,103,104)(H,105,106)(H,119,120)(H4,76,77,80)(H4,78,79,81)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,53-,54-,55-,56-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.99E+4n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Eur J Med Chem 43: 966-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.008
BindingDB Entry DOI: 10.7270/Q2NS0TNW
More data for this
Ligand-Target Pair