Found 3 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM189728' 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)) | BDBM189728
(US10213433, Compound 298 | US11369599, Compound 29...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@H]4CC[C@H](O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.33,c:56,(6.65,-10.99,;5.83,-9.69,;7.37,-9.74,;5.83,-8.15,;4.5,-7.38,;3.17,-8.15,;1.83,-7.38,;1.83,-5.84,;3.17,-5.07,;3.17,-3.53,;1.83,-2.76,;.5,-3.53,;.5,-5.07,;1.83,-1.22,;3.17,-.45,;3.17,1.09,;1.83,1.86,;1.83,3.4,;.5,4.17,;3.17,4.17,;4.5,3.4,;5.27,4.74,;3.73,2.07,;5.83,2.63,;5.83,1.09,;7.17,.32,;8.5,1.09,;9.84,.32,;11.17,1.09,;12.5,.32,;13.84,1.09,;15.17,.32,;15.17,-1.22,;16.5,-1.99,;13.84,-1.99,;12.5,-1.22,;8.5,2.63,;9.84,3.4,;7.17,3.4,;.5,1.09,;-.83,1.86,;-2.17,1.09,;-2.17,-.45,;-3.5,-1.22,;-4.83,-.45,;-6.3,-.92,;-7.2,.32,;-6.3,1.57,;-4.83,1.09,;-3.5,1.86,;.5,-.45,;3.17,-9.69,;4.5,-10.46,;1.83,-10.46,;1.83,-12,;.5,-12.77,;-.83,-12,;-2.17,-12.77,;-.83,-10.46,;.5,-9.69,)| Show InChI InChI=1S/C45H50Cl2N6O6S/c1-45(2)15-13-32(39(24-45)30-5-7-33(46)8-6-30)27-52-17-19-53(20-18-52)34-9-12-38(41(22-34)59-36-21-31-14-16-48-42(31)49-25-36)43(55)51-60(56,57)37-23-40(47)44(50-26-37)58-28-29-3-10-35(54)11-4-29/h5-9,12,14,16,21-23,25-26,29,35,54H,3-4,10-11,13,15,17-20,24,27-28H2,1-2H3,(H,48,49)(H,51,55)/t29-,35- | 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)) | BDBM189728
(US10213433, Compound 298 | US11369599, Compound 29...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@H]4CC[C@H](O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.33,c:56,(6.65,-10.99,;5.83,-9.69,;7.37,-9.74,;5.83,-8.15,;4.5,-7.38,;3.17,-8.15,;1.83,-7.38,;1.83,-5.84,;3.17,-5.07,;3.17,-3.53,;1.83,-2.76,;.5,-3.53,;.5,-5.07,;1.83,-1.22,;3.17,-.45,;3.17,1.09,;1.83,1.86,;1.83,3.4,;.5,4.17,;3.17,4.17,;4.5,3.4,;5.27,4.74,;3.73,2.07,;5.83,2.63,;5.83,1.09,;7.17,.32,;8.5,1.09,;9.84,.32,;11.17,1.09,;12.5,.32,;13.84,1.09,;15.17,.32,;15.17,-1.22,;16.5,-1.99,;13.84,-1.99,;12.5,-1.22,;8.5,2.63,;9.84,3.4,;7.17,3.4,;.5,1.09,;-.83,1.86,;-2.17,1.09,;-2.17,-.45,;-3.5,-1.22,;-4.83,-.45,;-6.3,-.92,;-7.2,.32,;-6.3,1.57,;-4.83,1.09,;-3.5,1.86,;.5,-.45,;3.17,-9.69,;4.5,-10.46,;1.83,-10.46,;1.83,-12,;.5,-12.77,;-.83,-12,;-2.17,-12.77,;-.83,-10.46,;.5,-9.69,)| Show InChI InChI=1S/C45H50Cl2N6O6S/c1-45(2)15-13-32(39(24-45)30-5-7-33(46)8-6-30)27-52-17-19-53(20-18-52)34-9-12-38(41(22-34)59-36-21-31-14-16-48-42(31)49-25-36)43(55)51-60(56,57)37-23-40(47)44(50-26-37)58-28-29-3-10-35(54)11-4-29/h5-9,12,14,16,21-23,25-26,29,35,54H,3-4,10-11,13,15,17-20,24,27-28H2,1-2H3,(H,48,49)(H,51,55)/t29-,35- | 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)) | BDBM189728
(US10213433, Compound 298 | US11369599, Compound 29...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@H]4CC[C@H](O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:29.29,wD:32.33,c:56,(6.65,-10.99,;5.83,-9.69,;7.37,-9.74,;5.83,-8.15,;4.5,-7.38,;3.17,-8.15,;1.83,-7.38,;1.83,-5.84,;3.17,-5.07,;3.17,-3.53,;1.83,-2.76,;.5,-3.53,;.5,-5.07,;1.83,-1.22,;3.17,-.45,;3.17,1.09,;1.83,1.86,;1.83,3.4,;.5,4.17,;3.17,4.17,;4.5,3.4,;5.27,4.74,;3.73,2.07,;5.83,2.63,;5.83,1.09,;7.17,.32,;8.5,1.09,;9.84,.32,;11.17,1.09,;12.5,.32,;13.84,1.09,;15.17,.32,;15.17,-1.22,;16.5,-1.99,;13.84,-1.99,;12.5,-1.22,;8.5,2.63,;9.84,3.4,;7.17,3.4,;.5,1.09,;-.83,1.86,;-2.17,1.09,;-2.17,-.45,;-3.5,-1.22,;-4.83,-.45,;-6.3,-.92,;-7.2,.32,;-6.3,1.57,;-4.83,1.09,;-3.5,1.86,;.5,-.45,;3.17,-9.69,;4.5,-10.46,;1.83,-10.46,;1.83,-12,;.5,-12.77,;-.83,-12,;-2.17,-12.77,;-.83,-10.46,;.5,-9.69,)| Show InChI InChI=1S/C45H50Cl2N6O6S/c1-45(2)15-13-32(39(24-45)30-5-7-33(46)8-6-30)27-52-17-19-53(20-18-52)34-9-12-38(41(22-34)59-36-21-31-14-16-48-42(31)49-25-36)43(55)51-60(56,57)37-23-40(47)44(50-26-37)58-28-29-3-10-35(54)11-4-29/h5-9,12,14,16,21-23,25-26,29,35,54H,3-4,10-11,13,15,17-20,24,27-28H2,1-2H3,(H,48,49)(H,51,55)/t29-,35- | 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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