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PubMed code 21300543

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM50337676
PNG
(2-(4-(2-(1H-pyrazol-4-yl)benzyl)piperazin-1-yl)-5-...)
Show SMILES C(N1CCN(CC1)c1ncc(Cc2ccccc2)cn1)c1ccccc1-c1cn[nH]c1
Show InChI InChI=1S/C25H26N6/c1-2-6-20(7-3-1)14-21-15-26-25(27-16-21)31-12-10-30(11-13-31)19-22-8-4-5-9-24(22)23-17-28-29-18-23/h1-9,15-18H,10-14,19H2,(H,28,29)
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Article
PubMed
127n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL after 2 hrs by fluorescein-labeled Bak-BH3 peptide competition binding assay


Bioorg Med Chem Lett 21: 1325-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.054
BindingDB Entry DOI: 10.7270/Q2T153XN
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50337674
PNG
(5-benzyl-2-(4-(2-chloro-5-aminobenzyl)piperazin-1-...)
Show SMILES Nc1ccc(Cl)c(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c1
Show InChI InChI=1S/C22H24ClN5/c23-21-7-6-20(24)13-19(21)16-27-8-10-28(11-9-27)22-25-14-18(15-26-22)12-17-4-2-1-3-5-17/h1-7,13-15H,8-12,16,24H2
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Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL after 2 hrs by fluorescein-labeled Bak-BH3 peptide competition binding assay


Bioorg Med Chem Lett 21: 1325-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.054
BindingDB Entry DOI: 10.7270/Q2T153XN
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50337675
PNG
(5-benzyl-2-(4-(3-hydroxybenzyl)piperazin-1-yl)pyri...)
Show SMILES Oc1cccc(CN2CCN(CC2)c2ncc(Cc3ccccc3)cn2)c1
Show InChI InChI=1S/C22H24N4O/c27-21-8-4-7-19(14-21)17-25-9-11-26(12-10-25)22-23-15-20(16-24-22)13-18-5-2-1-3-6-18/h1-8,14-16,27H,9-13,17H2
PDB
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Article
PubMed
520n/an/an/an/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL after 2 hrs by fluorescein-labeled Bak-BH3 peptide competition binding assay


Bioorg Med Chem Lett 21: 1325-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.054
BindingDB Entry DOI: 10.7270/Q2T153XN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%