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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 = 'BDBM21427'   
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))
BDBM21427
PNG
(4-Piperidinebenzylidene derivative, 10f | 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]/c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-31(26-52-33-6-4-3-5-7-33)42-35-17-16-34(25-36(35)46(48)49)53(50,51)43-37(47)29-10-14-32(15-11-29)45-22-18-28(19-23-45)24-27-8-12-30(13-9-27)38(39,40)41/h3-17,24-25,31,42H,18-23,26H2,1-2H3,(H,43,47)/t31-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40 -50.5 1.30E+3n/a 2.60E+3n/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))
BDBM21427
PNG
(4-Piperidinebenzylidene derivative, 10f | 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]/c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-31(26-52-33-6-4-3-5-7-33)42-35-17-16-34(25-36(35)46(48)49)53(50,51)43-37(47)29-10-14-32(15-11-29)45-22-18-28(19-23-45)24-27-8-12-30(13-9-27)38(39,40)41/h3-17,24-25,31,42H,18-23,26H2,1-2H3,(H,43,47)/t31-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.60E+3n/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