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BDBM21432 4-Piperidinebenzylidene derivative, 10k::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-{4-[(2-phenylphenyl)methylidene]piperidin-1-yl}benzamide

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]/c1ccccc1-c1ccccc1

InChI Key: InChIKey=KSGOSYWODFBAFN-PSXMRANNSA-N

Data: 2 KI  1 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21432   
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))
BDBM21432
PNG
(4-Piperidinebenzylidene derivative, 10k | 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]/c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C43H45N5O5S2/c1-46(2)26-25-36(31-54-38-14-7-4-8-15-38)44-41-22-21-39(30-42(41)48(50)51)55(52,53)45-43(49)34-17-19-37(20-18-34)47-27-23-32(24-28-47)29-35-13-9-10-16-40(35)33-11-5-3-6-12-33/h3-22,29-30,36,44H,23-28,31H2,1-2H3,(H,45,49)/t36-/m1/s1
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<0.5n/a 83n/a 160n/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))
BDBM21432
PNG
(4-Piperidinebenzylidene derivative, 10k | 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]/c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C43H45N5O5S2/c1-46(2)26-25-36(31-54-38-14-7-4-8-15-38)44-41-22-21-39(30-42(41)48(50)51)55(52,53)45-43(49)34-17-19-37(20-18-34)47-27-23-32(24-28-47)29-35-13-9-10-16-40(35)33-11-5-3-6-12-33/h3-22,29-30,36,44H,23-28,31H2,1-2H3,(H,45,49)/t36-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/a 180n/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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM21432
PNG
(4-Piperidinebenzylidene derivative, 10k | 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]/c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C43H45N5O5S2/c1-46(2)26-25-36(31-54-38-14-7-4-8-15-38)44-41-22-21-39(30-42(41)48(50)51)55(52,53)45-43(49)34-17-19-37(20-18-34)47-27-23-32(24-28-47)29-35-13-9-10-16-40(35)33-11-5-3-6-12-33/h3-22,29-30,36,44H,23-28,31H2,1-2H3,(H,45,49)/t36-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
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PC sid
UniChem
Article
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n/an/an/an/a 160n/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