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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 = 'BDBM50384357'   
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))
BDBM50384357
PNG
(CHEMBL2031026 | US9346795, 116)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-22-50(23-9-7-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-59(56,57)38-20-18-32-14-10-11-16-34(32)27-38)28-39(40)44(54)51-29-36-17-13-12-15-33(36)26-37(51)30-58-25-24-49(4)5/h10-21,27-28,37H,6-9,22-26,29-30H2,1-5H3,(H,48,53)/t37-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10n/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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50384357
PNG
(CHEMBL2031026 | US9346795, 116)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1COCCN(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C45H53ClN6O6S/c1-6-8-22-50(23-9-7-2)45(55)42-41(46)31(3)52(47-42)40-21-19-35(43(53)48-59(56,57)38-20-18-32-14-10-11-16-34(32)27-38)28-39(40)44(54)51-29-36-17-13-12-15-33(36)26-37(51)30-58-25-24-49(4)5/h10-21,27-28,37H,6-9,22-26,29-30H2,1-5H3,(H,48,53)/t37-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/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