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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 = 'BDBM21411'   
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))
BDBM21411
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8b | N-[(4...)
Show SMILES COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C36H49N5O6S2/c1-35(2,3)26-36(47-6)19-22-40(23-20-36)29-14-12-27(13-15-29)34(42)38-49(45,46)31-16-17-32(33(24-31)41(43)44)37-28(18-21-39(4)5)25-48-30-10-8-7-9-11-30/h7-17,24,28,37H,18-23,25-26H2,1-6H3,(H,38,42)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60 -47.6 440n/a 750n/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))
BDBM21411
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8b | N-[(4...)
Show SMILES COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C36H49N5O6S2/c1-35(2,3)26-36(47-6)19-22-40(23-20-36)29-14-12-27(13-15-29)34(42)38-49(45,46)31-16-17-32(33(24-31)41(43)44)37-28(18-21-39(4)5)25-48-30-10-8-7-9-11-30/h7-17,24,28,37H,18-23,25-26H2,1-6H3,(H,38,42)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 750n/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