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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]/c1ccccn1

InChI Key: InChIKey=AXRKKWXXRAOBEV-SSEXGKCCSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21430   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM21430
PNG
(4-Piperidinebenzylidene derivative, 10i | 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]/c1ccccn1 |r|
Show InChI InChI=1S/C36H40N6O5S2/c1-40(2)21-19-30(26-48-32-9-4-3-5-10-32)38-34-16-15-33(25-35(34)42(44)45)49(46,47)39-36(43)28-11-13-31(14-12-28)41-22-17-27(18-23-41)24-29-8-6-7-20-37-29/h3-16,20,24-25,30,38H,17-19,21-23,26H2,1-2H3,(H,39,43)/t30-/m1/s1
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PC cid
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Article
PubMed
n/an/an/an/a 550n/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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM21430
PNG
(4-Piperidinebenzylidene derivative, 10i | 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]/c1ccccn1 |r|
Show InChI InChI=1S/C36H40N6O5S2/c1-40(2)21-19-30(26-48-32-9-4-3-5-10-32)38-34-16-15-33(25-35(34)42(44)45)49(46,47)39-36(43)28-11-13-31(14-12-28)41-22-17-27(18-23-41)24-29-8-6-7-20-37-29/h3-16,20,24-25,30,38H,17-19,21-23,26H2,1-2H3,(H,39,43)/t30-/m1/s1
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3.60n/a 700n/a 550n/an/an/an/a



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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM21430
PNG
(4-Piperidinebenzylidene derivative, 10i | 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]/c1ccccn1 |r|
Show InChI InChI=1S/C36H40N6O5S2/c1-40(2)21-19-30(26-48-32-9-4-3-5-10-32)38-34-16-15-33(25-35(34)42(44)45)49(46,47)39-36(43)28-11-13-31(14-12-28)41-22-17-27(18-23-41)24-29-8-6-7-20-37-29/h3-16,20,24-25,30,38H,17-19,21-23,26H2,1-2H3,(H,39,43)/t30-/m1/s1
PDB

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antibodypedia
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UniChem

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Article
PubMed
46n/an/an/a 1.38E+3n/an/an/an/a



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