Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189706' 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)) | BDBM189706
(US10213433, Compound 276 | US11369599, Compound 27...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@@H](CC4)C#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.36,c:59,(8.2,-9.06,;7.39,-7.76,;8.93,-7.81,;7.39,-6.22,;6.05,-5.45,;4.72,-6.22,;3.39,-5.45,;3.39,-3.91,;4.72,-3.14,;4.72,-1.6,;3.39,-.83,;2.05,-1.6,;2.05,-3.14,;3.39,.71,;4.72,1.48,;4.72,3.02,;3.39,3.79,;3.39,5.33,;4.72,6.1,;2.05,6.1,;2.05,7.64,;2.05,9.18,;3.59,7.64,;.51,7.64,;-.26,6.31,;-1.8,6.31,;-2.57,7.64,;-4.11,7.64,;-4.88,6.31,;-6.42,6.31,;-7.19,4.97,;-8.73,4.97,;-9.5,6.31,;-8.73,7.64,;-7.19,7.64,;-11.04,6.31,;-12.58,6.31,;-1.8,8.98,;-.26,8.98,;-2.57,10.31,;-1.8,11.64,;-4.11,10.31,;2.05,3.02,;.72,3.79,;-.61,3.02,;-.61,1.48,;-1.95,.71,;-3.28,1.48,;-4.75,1.01,;-5.65,2.25,;-4.75,3.5,;-3.28,3.02,;-1.95,3.79,;2.05,1.48,;4.72,-7.76,;6.05,-8.53,;3.39,-8.53,;3.39,-10.07,;2.05,-10.84,;.72,-10.07,;-.61,-10.84,;.72,-8.53,;2.05,-7.76,)| Show InChI InChI=1S/C47H51ClN8O6S/c1-47(2)17-15-35(41(26-47)33-7-9-36(48)10-8-33)30-54-19-21-55(22-20-54)37-11-13-40(44(24-37)62-38-23-34-16-18-50-45(34)52-29-38)46(57)53-63(60,61)39-12-14-42(43(25-39)56(58)59)51-28-32-5-3-31(27-49)4-6-32/h7-14,16,18,23-25,29,31-32,51H,3-6,15,17,19-22,26,28,30H2,1-2H3,(H,50,52)(H,53,57)/t31-,32- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | <-62.8 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH
US Patent
| Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr... |
US Patent US9174982 (2015)
BindingDB Entry DOI: 10.7270/Q2RB73D5 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM189706
(US10213433, Compound 276 | US11369599, Compound 27...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@@H](CC4)C#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.36,c:59,(8.2,-9.06,;7.39,-7.76,;8.93,-7.81,;7.39,-6.22,;6.05,-5.45,;4.72,-6.22,;3.39,-5.45,;3.39,-3.91,;4.72,-3.14,;4.72,-1.6,;3.39,-.83,;2.05,-1.6,;2.05,-3.14,;3.39,.71,;4.72,1.48,;4.72,3.02,;3.39,3.79,;3.39,5.33,;4.72,6.1,;2.05,6.1,;2.05,7.64,;2.05,9.18,;3.59,7.64,;.51,7.64,;-.26,6.31,;-1.8,6.31,;-2.57,7.64,;-4.11,7.64,;-4.88,6.31,;-6.42,6.31,;-7.19,4.97,;-8.73,4.97,;-9.5,6.31,;-8.73,7.64,;-7.19,7.64,;-11.04,6.31,;-12.58,6.31,;-1.8,8.98,;-.26,8.98,;-2.57,10.31,;-1.8,11.64,;-4.11,10.31,;2.05,3.02,;.72,3.79,;-.61,3.02,;-.61,1.48,;-1.95,.71,;-3.28,1.48,;-4.75,1.01,;-5.65,2.25,;-4.75,3.5,;-3.28,3.02,;-1.95,3.79,;2.05,1.48,;4.72,-7.76,;6.05,-8.53,;3.39,-8.53,;3.39,-10.07,;2.05,-10.84,;.72,-10.07,;-.61,-10.84,;.72,-8.53,;2.05,-7.76,)| Show InChI InChI=1S/C47H51ClN8O6S/c1-47(2)17-15-35(41(26-47)33-7-9-36(48)10-8-33)30-54-19-21-55(22-20-54)37-11-13-40(44(24-37)62-38-23-34-16-18-50-45(34)52-29-38)46(57)53-63(60,61)39-12-14-42(43(25-39)56(58)59)51-28-32-5-3-31(27-49)4-6-32/h7-14,16,18,23-25,29,31-32,51H,3-6,15,17,19-22,26,28,30H2,1-2H3,(H,50,52)(H,53,57)/t31-,32- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21V5J59 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM189706
(US10213433, Compound 276 | US11369599, Compound 27...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@@H](CC4)C#N)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.36,c:59,(8.2,-9.06,;7.39,-7.76,;8.93,-7.81,;7.39,-6.22,;6.05,-5.45,;4.72,-6.22,;3.39,-5.45,;3.39,-3.91,;4.72,-3.14,;4.72,-1.6,;3.39,-.83,;2.05,-1.6,;2.05,-3.14,;3.39,.71,;4.72,1.48,;4.72,3.02,;3.39,3.79,;3.39,5.33,;4.72,6.1,;2.05,6.1,;2.05,7.64,;2.05,9.18,;3.59,7.64,;.51,7.64,;-.26,6.31,;-1.8,6.31,;-2.57,7.64,;-4.11,7.64,;-4.88,6.31,;-6.42,6.31,;-7.19,4.97,;-8.73,4.97,;-9.5,6.31,;-8.73,7.64,;-7.19,7.64,;-11.04,6.31,;-12.58,6.31,;-1.8,8.98,;-.26,8.98,;-2.57,10.31,;-1.8,11.64,;-4.11,10.31,;2.05,3.02,;.72,3.79,;-.61,3.02,;-.61,1.48,;-1.95,.71,;-3.28,1.48,;-4.75,1.01,;-5.65,2.25,;-4.75,3.5,;-3.28,3.02,;-1.95,3.79,;2.05,1.48,;4.72,-7.76,;6.05,-8.53,;3.39,-8.53,;3.39,-10.07,;2.05,-10.84,;.72,-10.07,;-.61,-10.84,;.72,-8.53,;2.05,-7.76,)| Show InChI InChI=1S/C47H51ClN8O6S/c1-47(2)17-15-35(41(26-47)33-7-9-36(48)10-8-33)30-54-19-21-55(22-20-54)37-11-13-40(44(24-37)62-38-23-34-16-18-50-45(34)52-29-38)46(57)53-63(60,61)39-12-14-42(43(25-39)56(58)59)51-28-32-5-3-31(27-49)4-6-32/h7-14,16,18,23-25,29,31-32,51H,3-6,15,17,19-22,26,28,30H2,1-2H3,(H,50,52)(H,53,57)/t31-,32- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
US Patent
| Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay. |
US Patent US10213433 (2019)
BindingDB Entry DOI: 10.7270/Q23F4RZ6 |
More data for this
Ligand-Target Pair | |
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