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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 = 'BDBM50384340'   
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))
BDBM50384340
PNG
(CHEMBL2031009 | US9346795, 328)
Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
Show InChI InChI=1S/C38H37Cl2N5O5S/c1-3-16-44(17-4-2)38-41-21-34(40)35(42-38)30-15-13-26(19-32(30)37(48)45-22-27-9-6-5-8-25(27)18-28(45)23-46)36(47)43-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-21,28,46H,3-4,16-18,22-23H2,1-2H3,(H,43,47)/t28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.78n/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))
BDBM50384340
PNG
(CHEMBL2031009 | US9346795, 328)
Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r|
Show InChI InChI=1S/C38H37Cl2N5O5S/c1-3-16-44(17-4-2)38-41-21-34(40)35(42-38)30-15-13-26(19-32(30)37(48)45-22-27-9-6-5-8-25(27)18-28(45)23-46)36(47)43-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-21,28,46H,3-4,16-18,22-23H2,1-2H3,(H,43,47)/t28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3951-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z
More data for this
Ligand-Target Pair