Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50384318' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384318
(CHEMBL2030853 | US9346795, 243)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.41,-6.84,;-2.72,-6.03,;-2.67,-4.49,;-3.99,-3.68,;-3.94,-2.14,;-3.78,-.6,;-5.18,.02,;-5.5,1.53,;-6.97,2,;-6.22,-1.12,;-5.45,-2.46,;-6.17,-3.81,;-7.71,-3.86,;-8.44,-5.21,;-7.63,-6.52,;-8.35,-7.88,;-7.53,-9.19,;-8.27,-10.54,;-7.45,-11.85,;-5.91,-11.8,;-5.19,-10.43,;-3.65,-10.37,;-6,-9.13,;-6.08,-6.47,;-5.36,-5.11,;-2.44,.16,;-2.44,1.7,;-1.1,2.48,;.23,1.7,;.23,.16,;-1.11,-.61,;-1.12,-2.15,;-2.46,-2.91,;.21,-2.92,;.21,-4.46,;1.53,-5.23,;2.86,-4.47,;4.18,-5.25,;5.53,-4.5,;5.54,-2.96,;4.21,-2.17,;2.88,-2.93,;1.55,-2.15,;1.57,2.46,;1.58,4,;2.9,1.69,;4.23,2.45,;3.45,3.78,;4.99,3.79,;5.57,1.67,;5.56,.13,;6.89,-.65,;8.24,.13,;9.58,-.63,;10.92,.15,;10.9,1.71,;9.55,2.46,;8.23,1.68,;6.9,2.45,)| Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-15-44-45(43(30-53)49-52(44)37-18-20-38(21-19-37)58-39-14-8-13-36(48)28-39)41-23-17-34(27-42(41)47(55)51-25-24-32-10-5-7-12-35(32)29-51)46(54)50-59(56,57)40-22-16-31-9-4-6-11-33(31)26-40/h4-14,16-23,26-28,53H,2-3,15,24-25,29-30H2,1H3,(H,50,54) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7.83 | n/a | n/a | n/a | n/a | n/a | 25 |
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)) | BDBM50384318
(CHEMBL2030853 | US9346795, 243)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.41,-6.84,;-2.72,-6.03,;-2.67,-4.49,;-3.99,-3.68,;-3.94,-2.14,;-3.78,-.6,;-5.18,.02,;-5.5,1.53,;-6.97,2,;-6.22,-1.12,;-5.45,-2.46,;-6.17,-3.81,;-7.71,-3.86,;-8.44,-5.21,;-7.63,-6.52,;-8.35,-7.88,;-7.53,-9.19,;-8.27,-10.54,;-7.45,-11.85,;-5.91,-11.8,;-5.19,-10.43,;-3.65,-10.37,;-6,-9.13,;-6.08,-6.47,;-5.36,-5.11,;-2.44,.16,;-2.44,1.7,;-1.1,2.48,;.23,1.7,;.23,.16,;-1.11,-.61,;-1.12,-2.15,;-2.46,-2.91,;.21,-2.92,;.21,-4.46,;1.53,-5.23,;2.86,-4.47,;4.18,-5.25,;5.53,-4.5,;5.54,-2.96,;4.21,-2.17,;2.88,-2.93,;1.55,-2.15,;1.57,2.46,;1.58,4,;2.9,1.69,;4.23,2.45,;3.45,3.78,;4.99,3.79,;5.57,1.67,;5.56,.13,;6.89,-.65,;8.24,.13,;9.58,-.63,;10.92,.15,;10.9,1.71,;9.55,2.46,;8.23,1.68,;6.9,2.45,)| Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-15-44-45(43(30-53)49-52(44)37-18-20-38(21-19-37)58-39-14-8-13-36(48)28-39)41-23-17-34(27-42(41)47(55)51-25-24-32-10-5-7-12-35(32)29-51)46(54)50-59(56,57)40-22-16-31-9-4-6-11-33(31)26-40/h4-14,16-23,26-28,53H,2-3,15,24-25,29-30H2,1H3,(H,50,54) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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