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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 = 'BDBM21410'   
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))
BDBM21410
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8a | N-[(4...)
Show SMILES COC1(CC(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C35H47N5O6S2/c1-26(2)24-35(46-5)18-21-39(22-19-35)29-13-11-27(12-14-29)34(41)37-48(44,45)31-15-16-32(33(23-31)40(42)43)36-28(17-20-38(3)4)25-47-30-9-7-6-8-10-30/h6-16,23,26,28,36H,17-22,24-25H2,1-5H3,(H,37,41)/t28-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.10 -46.9 360n/a 580n/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))
BDBM21410
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8a | N-[(4...)
Show SMILES COC1(CC(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C35H47N5O6S2/c1-26(2)24-35(46-5)18-21-39(22-19-35)29-13-11-27(12-14-29)34(41)37-48(44,45)31-15-16-32(33(23-31)40(42)43)36-28(17-20-38(3)4)25-47-30-9-7-6-8-10-30/h6-16,23,26,28,36H,17-22,24-25H2,1-5H3,(H,37,41)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 579n/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