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BDBM21405 4-Piperidinebenzylidene derivative, 10a::N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]-4-{4-[(4-fluorophenyl)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]/c1ccc(F)cc1

InChI Key: InChIKey=XRDADZJPQLAHCT-WJOKGBTCSA-N

Data: 2 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21405   
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)
BDBM21405
PNG
(4-Piperidinebenzylidene derivative, 10a | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(F)cc1
Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1
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PC cid
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Article
PubMed
<0.5<-12.7n/an/a 380n/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
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21405
PNG
(4-Piperidinebenzylidene derivative, 10a | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(F)cc1
Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1
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Article
PubMed
3.40n/an/an/a 600n/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)
BDBM21405
PNG
(4-Piperidinebenzylidene derivative, 10a | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(F)cc1
Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 380n/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