Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145144' 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)) | BDBM145144
(US8952157, 335 | US9303025, 335)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)NC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:65,(-6.22,13.89,;-5.5,12.53,;-4.77,13.89,;-4.16,11.76,;-4.16,10.22,;-5.5,9.45,;-5.5,7.91,;-4.16,7.14,;-4.16,5.6,;-2.83,4.83,;-1.49,5.6,;-1.49,7.14,;-2.83,7.91,;-.16,4.83,;1.17,5.6,;2.51,4.83,;2.51,3.29,;3.84,2.52,;3.84,.98,;5.17,3.29,;6.51,2.52,;7.28,3.85,;5.74,1.19,;7.84,1.75,;7.84,.21,;9.17,-.56,;10.51,.21,;11.84,-.56,;11.84,-2.1,;13.18,-2.87,;13.18,-4.41,;11.84,-5.18,;10.51,-4.41,;10.51,-2.87,;11.84,-6.72,;10.51,-7.49,;9.17,-6.72,;7.84,-7.49,;7.84,-9.03,;9.17,-9.8,;10.51,-9.03,;10.51,1.75,;9.17,2.52,;11.84,2.52,;13.18,1.75,;11.84,4.06,;1.17,2.52,;1.17,.98,;-.16,.21,;-1.49,.98,;-2.83,.21,;-4.29,.69,;-5.2,-.56,;-4.29,-1.81,;-2.83,-1.33,;-1.49,-2.1,;-.16,-1.33,;1.17,-2.1,;-.16,3.29,;-6.83,10.22,;-6.83,11.76,;-8.16,9.45,;-8.16,7.91,;-9.5,7.14,;-10.83,7.91,;-12.16,7.14,;-10.83,9.45,;-9.5,10.22,)| Show InChI InChI=1S/C51H59ClFN7O7S/c1-51(2)19-15-35(43(31-51)33-3-5-36(52)6-4-33)32-58-21-23-59(24-22-58)40-11-13-42(48(28-40)67-49-27-34-16-20-54-46(34)30-44(49)53)50(61)57-68(64,65)41-12-14-45(47(29-41)60(62)63)56-38-9-7-37(8-10-38)55-39-17-25-66-26-18-39/h3-6,11-14,16,20,27-30,37-39,54-56H,7-10,15,17-19,21-26,31-32H2,1-2H3,(H,57,61) | 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)) | BDBM145144
(US8952157, 335 | US9303025, 335)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)NC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:65,(-6.22,13.89,;-5.5,12.53,;-4.77,13.89,;-4.16,11.76,;-4.16,10.22,;-5.5,9.45,;-5.5,7.91,;-4.16,7.14,;-4.16,5.6,;-2.83,4.83,;-1.49,5.6,;-1.49,7.14,;-2.83,7.91,;-.16,4.83,;1.17,5.6,;2.51,4.83,;2.51,3.29,;3.84,2.52,;3.84,.98,;5.17,3.29,;6.51,2.52,;7.28,3.85,;5.74,1.19,;7.84,1.75,;7.84,.21,;9.17,-.56,;10.51,.21,;11.84,-.56,;11.84,-2.1,;13.18,-2.87,;13.18,-4.41,;11.84,-5.18,;10.51,-4.41,;10.51,-2.87,;11.84,-6.72,;10.51,-7.49,;9.17,-6.72,;7.84,-7.49,;7.84,-9.03,;9.17,-9.8,;10.51,-9.03,;10.51,1.75,;9.17,2.52,;11.84,2.52,;13.18,1.75,;11.84,4.06,;1.17,2.52,;1.17,.98,;-.16,.21,;-1.49,.98,;-2.83,.21,;-4.29,.69,;-5.2,-.56,;-4.29,-1.81,;-2.83,-1.33,;-1.49,-2.1,;-.16,-1.33,;1.17,-2.1,;-.16,3.29,;-6.83,10.22,;-6.83,11.76,;-8.16,9.45,;-8.16,7.91,;-9.5,7.14,;-10.83,7.91,;-12.16,7.14,;-10.83,9.45,;-9.5,10.22,)| Show InChI InChI=1S/C51H59ClFN7O7S/c1-51(2)19-15-35(43(31-51)33-3-5-36(52)6-4-33)32-58-21-23-59(24-22-58)40-11-13-42(48(28-40)67-49-27-34-16-20-54-46(34)30-44(49)53)50(61)57-68(64,65)41-12-14-45(47(29-41)60(62)63)56-38-9-7-37(8-10-38)55-39-17-25-66-26-18-39/h3-6,11-14,16,20,27-30,37-39,54-56H,7-10,15,17-19,21-26,31-32H2,1-2H3,(H,57,61) | 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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