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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM21426'   
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))
BDBM21426
PNG
(4-Piperidinebenzylidene derivative, 10e | N-[(4-{[...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-30(26-52-32-9-4-3-5-10-32)42-35-17-16-33(25-36(35)46(48)49)53(50,51)43-37(47)28-12-14-31(15-13-28)45-22-18-27(19-23-45)24-29-8-6-7-11-34(29)38(39,40)41/h3-17,24-25,30,42H,18-23,26H2,1-2H3,(H,43,47)/t30-/m1/s1
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PC cid
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Article
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<0.5<-53.1 300n/a 150n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


J Med Chem 50: 641-62 (2007)


Article DOI: 10.1021/jm061152t
BindingDB Entry DOI: 10.7270/Q2V69GVV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM21426
PNG
(4-Piperidinebenzylidene derivative, 10e | N-[(4-{[...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-30(26-52-32-9-4-3-5-10-32)42-35-17-16-33(25-36(35)46(48)49)53(50,51)43-37(47)28-12-14-31(15-13-28)45-22-18-27(19-23-45)24-29-8-6-7-11-34(29)38(39,40)41/h3-17,24-25,30,42H,18-23,26H2,1-2H3,(H,43,47)/t30-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL


Eur J Med Chem 45: 4774-82 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.042
BindingDB Entry DOI: 10.7270/Q20K29TQ
More data for this
Ligand-Target Pair