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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM50313365'   
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-related protein A1


(Homo sapiens (Human))
BDBM50313365
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylbenz...)
Show SMILES CCc1ccc(Cc2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6/c1-3-15-6-8-16(9-7-15)10-18-11-17(5-4-14(18)2)13-28-23-22(27)21(26)20(25)19(12-24)29-23/h4-9,11,19-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.046
BindingDB Entry DOI: 10.7270/Q27D2VCZ
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM50313365
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylbenz...)
Show SMILES CCc1ccc(Cc2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 |r|
Show InChI InChI=1S/C23H30O6/c1-3-15-6-8-16(9-7-15)10-18-11-17(5-4-14(18)2)13-28-23-22(27)21(26)20(25)19(12-24)29-23/h4-9,11,19-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.046
BindingDB Entry DOI: 10.7270/Q27D2VCZ
More data for this
Ligand-Target Pair