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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50265714'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50265714
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](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#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](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O)-[#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,w:120.120|
Show InChI InChI=1S/C75H122N26O26/c1-10-36(7)59(99-61(112)38(9)88-66(117)45(26-34(3)4)94-64(115)43(21-23-51(78)103)92-63(114)41(14-12-24-84-74(80)81)90-54(106)33-87-70(121)58(35(5)6)98-65(116)42(20-22-50(77)102)89-53(105)31-76)71(122)96-46(27-39-16-18-40(19-17-39)101(126)127)62(113)86-32-55(107)91-48(29-56(108)109)68(119)95-49(30-57(110)111)69(120)100-60(37(8)11-2)72(123)97-47(28-52(79)104)67(118)93-44(73(124)125)15-13-25-85-75(82)83/h16-19,34-38,41-49,58-60H,10-15,20-33,76H2,1-9H3,(H32,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125)/t36-,37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,58-,59-,60-/m0/s1
PDB
MMDB

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PC cid
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Similars

Article
PubMed
n/an/an/an/a 1.47E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-XL (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