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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50384348'   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384348
PNG
(CHEMBL2031017 | US9346795, 7)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay


Bioorg Med Chem Lett 22: 3946-50 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.103
BindingDB Entry DOI: 10.7270/Q20866BM
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384348
PNG
(CHEMBL2031017 | US9346795, 7)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(I)c2c1
Show InChI InChI=1S/C40H41ClIN5O5S/c1-4-6-20-45(21-7-5-2)40(50)37-36(41)26(3)47(43-37)35-18-16-29(23-33(35)39(49)46-22-19-27-11-8-9-12-30(27)25-46)38(48)44-53(51,52)31-17-15-28-13-10-14-34(42)32(28)24-31/h8-18,23-24H,4-7,19-22,25H2,1-3H3,(H,44,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE...


US Patent US9346795 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2V27
More data for this
Ligand-Target Pair