Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145147' 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)) | BDBM145147
(US8952157, 338 | US9303025, 338)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(-2.92,-15.08,;-2.11,-13.78,;-3.64,-13.83,;-2.11,-12.24,;-.77,-11.47,;.56,-12.24,;1.9,-11.47,;1.9,-9.93,;3.23,-9.16,;3.23,-7.62,;1.9,-6.85,;.56,-7.62,;.56,-9.16,;1.9,-5.31,;3.23,-4.54,;3.23,-3,;1.9,-2.23,;1.9,-.69,;.56,.08,;3.23,.08,;3.23,1.62,;4.77,1.62,;1.69,1.62,;3.23,3.16,;4.56,3.93,;4.56,5.47,;3.23,6.24,;3.23,7.78,;4.56,8.55,;4.56,10.09,;3.23,10.86,;3.23,12.4,;4.56,13.17,;4.56,14.71,;5.9,12.4,;5.9,10.86,;1.9,5.47,;1.9,3.93,;.56,6.24,;-.77,5.47,;.56,7.78,;.56,-3,;-.77,-2.23,;-2.11,-3,;-3.44,-2.23,;-4.77,-3,;-6.24,-2.52,;-7.14,-3.77,;-6.24,-5.01,;-4.77,-4.54,;-3.44,-5.31,;-2.11,-4.54,;-.77,-5.31,;.56,-4.54,;.56,-13.78,;-.77,-14.55,;1.9,-14.55,;3.23,-13.78,;4.56,-14.55,;4.56,-16.09,;5.9,-16.86,;3.23,-16.86,;1.9,-16.09,)| Show InChI InChI=1S/C47H52ClFN6O7S/c1-47(2)17-15-33(39(27-47)31-5-7-34(48)8-6-31)29-53-19-21-54(22-20-53)35-9-13-38(44(24-35)62-45-23-32-16-18-50-42(32)26-40(45)49)46(57)52-63(60,61)37-12-14-41(43(25-37)55(58)59)51-28-30-3-10-36(56)11-4-30/h5-9,12-14,16,18,23-26,30,36,50-51,56H,3-4,10-11,15,17,19-22,27-29H2,1-2H3,(H,52,57) | 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.
US Patent
| Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ... |
US Patent US9303025 (2016)
BindingDB Entry DOI: 10.7270/Q2XD10JP |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM145147
(US8952157, 338 | US9303025, 338)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(-2.92,-15.08,;-2.11,-13.78,;-3.64,-13.83,;-2.11,-12.24,;-.77,-11.47,;.56,-12.24,;1.9,-11.47,;1.9,-9.93,;3.23,-9.16,;3.23,-7.62,;1.9,-6.85,;.56,-7.62,;.56,-9.16,;1.9,-5.31,;3.23,-4.54,;3.23,-3,;1.9,-2.23,;1.9,-.69,;.56,.08,;3.23,.08,;3.23,1.62,;4.77,1.62,;1.69,1.62,;3.23,3.16,;4.56,3.93,;4.56,5.47,;3.23,6.24,;3.23,7.78,;4.56,8.55,;4.56,10.09,;3.23,10.86,;3.23,12.4,;4.56,13.17,;4.56,14.71,;5.9,12.4,;5.9,10.86,;1.9,5.47,;1.9,3.93,;.56,6.24,;-.77,5.47,;.56,7.78,;.56,-3,;-.77,-2.23,;-2.11,-3,;-3.44,-2.23,;-4.77,-3,;-6.24,-2.52,;-7.14,-3.77,;-6.24,-5.01,;-4.77,-4.54,;-3.44,-5.31,;-2.11,-4.54,;-.77,-5.31,;.56,-4.54,;.56,-13.78,;-.77,-14.55,;1.9,-14.55,;3.23,-13.78,;4.56,-14.55,;4.56,-16.09,;5.9,-16.86,;3.23,-16.86,;1.9,-16.09,)| Show InChI InChI=1S/C47H52ClFN6O7S/c1-47(2)17-15-33(39(27-47)31-5-7-34(48)8-6-31)29-53-19-21-54(22-20-53)35-9-13-38(44(24-35)62-45-23-32-16-18-50-42(32)26-40(45)49)46(57)52-63(60,61)37-12-14-41(43(25-37)55(58)59)51-28-30-3-10-36(56)11-4-30/h5-9,12-14,16,18,23-26,30,36,50-51,56H,3-4,10-11,15,17,19-22,27-29H2,1-2H3,(H,52,57) | 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.; 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 US8952157 (2015)
BindingDB Entry DOI: 10.7270/Q2QN65G9 |
More data for this
Ligand-Target Pair | |
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