Found 2 hits for monomerid = 145145 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM145145
(US8952157, 336 | US9303025, 336)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:71,(-7.99,-9.64,;-7.17,-8.33,;-8.71,-8.39,;-7.17,-6.79,;-5.84,-6.02,;-4.5,-6.79,;-3.17,-6.02,;-3.17,-4.48,;-1.84,-3.71,;-1.84,-2.17,;-3.17,-1.4,;-4.5,-2.17,;-4.5,-3.71,;-3.17,.14,;-1.84,.91,;-1.84,2.45,;-3.17,3.22,;-3.17,4.76,;-4.5,5.53,;-1.84,5.53,;-1.84,7.07,;-.3,7.07,;-3.38,7.07,;-1.84,8.61,;-.5,9.38,;-.5,10.92,;-1.84,11.69,;-1.84,13.23,;-.5,14,;-.5,15.54,;.83,16.31,;2.17,15.54,;2.17,14,;.83,13.23,;3.5,16.31,;3.5,17.85,;4.83,18.62,;6.17,17.85,;6.17,16.31,;4.83,15.54,;7.5,18.62,;8.83,17.85,;10.17,18.62,;10.17,20.16,;8.83,20.93,;7.5,20.16,;-3.17,10.92,;-3.17,9.38,;-4.5,11.69,;-5.84,10.92,;-4.5,13.23,;-4.5,2.45,;-5.84,3.22,;-7.17,2.45,;-8.5,3.22,;-9.84,2.45,;-11.3,2.92,;-12.21,1.68,;-11.3,.43,;-9.84,.91,;-8.5,.14,;-7.17,.91,;-5.84,.14,;-4.5,.91,;-4.5,-8.33,;-5.84,-9.1,;-3.17,-9.1,;-1.84,-8.33,;-.5,-9.1,;-.5,-10.64,;.83,-11.41,;-1.84,-11.41,;-3.17,-10.64,)| Show InChI InChI=1S/C55H66ClFN8O7S/c1-55(2)19-15-39(47(35-55)37-3-5-40(56)6-4-37)36-61-21-23-64(24-22-61)44-11-13-46(52(32-44)72-53-31-38-16-20-58-50(38)34-48(53)57)54(66)60-73(69,70)45-12-14-49(51(33-45)65(67)68)59-41-7-9-42(10-8-41)62-25-27-63(28-26-62)43-17-29-71-30-18-43/h3-6,11-14,16,20,31-34,41-43,58-59H,7-10,15,17-19,21-30,35-36H2,1-2H3,(H,60,66) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | <-15.0 | 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)) | BDBM145145
(US8952157, 336 | US9303025, 336)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1 |c:71,(-7.99,-9.64,;-7.17,-8.33,;-8.71,-8.39,;-7.17,-6.79,;-5.84,-6.02,;-4.5,-6.79,;-3.17,-6.02,;-3.17,-4.48,;-1.84,-3.71,;-1.84,-2.17,;-3.17,-1.4,;-4.5,-2.17,;-4.5,-3.71,;-3.17,.14,;-1.84,.91,;-1.84,2.45,;-3.17,3.22,;-3.17,4.76,;-4.5,5.53,;-1.84,5.53,;-1.84,7.07,;-.3,7.07,;-3.38,7.07,;-1.84,8.61,;-.5,9.38,;-.5,10.92,;-1.84,11.69,;-1.84,13.23,;-.5,14,;-.5,15.54,;.83,16.31,;2.17,15.54,;2.17,14,;.83,13.23,;3.5,16.31,;3.5,17.85,;4.83,18.62,;6.17,17.85,;6.17,16.31,;4.83,15.54,;7.5,18.62,;8.83,17.85,;10.17,18.62,;10.17,20.16,;8.83,20.93,;7.5,20.16,;-3.17,10.92,;-3.17,9.38,;-4.5,11.69,;-5.84,10.92,;-4.5,13.23,;-4.5,2.45,;-5.84,3.22,;-7.17,2.45,;-8.5,3.22,;-9.84,2.45,;-11.3,2.92,;-12.21,1.68,;-11.3,.43,;-9.84,.91,;-8.5,.14,;-7.17,.91,;-5.84,.14,;-4.5,.91,;-4.5,-8.33,;-5.84,-9.1,;-3.17,-9.1,;-1.84,-8.33,;-.5,-9.1,;-.5,-10.64,;.83,-11.41,;-1.84,-11.41,;-3.17,-10.64,)| Show InChI InChI=1S/C55H66ClFN8O7S/c1-55(2)19-15-39(47(35-55)37-3-5-40(56)6-4-37)36-61-21-23-64(24-22-61)44-11-13-46(52(32-44)72-53-31-38-16-20-58-50(38)34-48(53)57)54(66)60-73(69,70)45-12-14-49(51(33-45)65(67)68)59-41-7-9-42(10-8-41)62-25-27-63(28-26-62)43-17-29-71-30-18-43/h3-6,11-14,16,20,31-34,41-43,58-59H,7-10,15,17-19,21-30,35-36H2,1-2H3,(H,60,66) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | <-15.0 | 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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