Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145154' 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)) | BDBM145154
(US8952157, 345 | US9303025, 345)Show SMILES COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc(N)c(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46,(-11.47,3.54,;-10.7,2.21,;-9.16,2.21,;-8.39,.88,;-6.85,.88,;-6.08,2.21,;-4.54,2.21,;-3.77,3.54,;-2.23,3.54,;-1.46,2.21,;.08,2.21,;.85,3.54,;.08,4.88,;-1.46,4.88,;-2.23,6.21,;-1.46,7.54,;-3.77,6.21,;2.39,3.54,;2.39,5.08,;3.93,3.54,;2.39,2,;3.72,1.23,;5.06,2,;3.72,-.31,;5.06,-1.08,;5.06,-2.62,;3.72,-3.39,;2.39,-2.62,;2.39,-1.08,;1.06,-.31,;-.28,-1.08,;-1.61,-.31,;-2.94,-1.08,;-2.94,-2.62,;-4.28,-3.39,;-1.61,-3.39,;-1.61,-4.93,;-.28,-2.62,;3.72,-4.93,;5.06,-5.7,;5.06,-7.24,;3.72,-8.01,;3.72,-9.55,;5.06,-10.32,;5.06,-11.86,;6.39,-12.63,;7.73,-11.86,;8.54,-13.16,;9.26,-11.91,;7.73,-10.32,;6.39,-9.55,;3.72,-12.63,;3.72,-14.17,;2.39,-14.94,;1.06,-14.17,;-.28,-14.94,;1.06,-12.63,;2.39,-11.86,;2.39,-7.24,;2.39,-5.7,;-6.85,3.54,;-8.39,3.54,)| Show InChI InChI=1S/C45H53Cl2N7O7S/c1-45(2)17-16-31(38(25-45)30-6-8-32(46)9-7-30)28-52-18-20-53(21-19-52)33-10-14-37(42(22-33)61-35-23-39(47)43(48)50-27-35)44(55)51-62(58,59)36-13-15-40(41(24-36)54(56)57)49-26-29-4-11-34(60-3)12-5-29/h6-10,13-15,22-24,27,29,34,49H,4-5,11-12,16-21,25-26,28H2,1-3H3,(H2,48,50)(H,51,55) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.00500 | -64.5 | 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)) | BDBM145154
(US8952157, 345 | US9303025, 345)Show SMILES COC1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc(N)c(Cl)c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46,(-11.47,3.54,;-10.7,2.21,;-9.16,2.21,;-8.39,.88,;-6.85,.88,;-6.08,2.21,;-4.54,2.21,;-3.77,3.54,;-2.23,3.54,;-1.46,2.21,;.08,2.21,;.85,3.54,;.08,4.88,;-1.46,4.88,;-2.23,6.21,;-1.46,7.54,;-3.77,6.21,;2.39,3.54,;2.39,5.08,;3.93,3.54,;2.39,2,;3.72,1.23,;5.06,2,;3.72,-.31,;5.06,-1.08,;5.06,-2.62,;3.72,-3.39,;2.39,-2.62,;2.39,-1.08,;1.06,-.31,;-.28,-1.08,;-1.61,-.31,;-2.94,-1.08,;-2.94,-2.62,;-4.28,-3.39,;-1.61,-3.39,;-1.61,-4.93,;-.28,-2.62,;3.72,-4.93,;5.06,-5.7,;5.06,-7.24,;3.72,-8.01,;3.72,-9.55,;5.06,-10.32,;5.06,-11.86,;6.39,-12.63,;7.73,-11.86,;8.54,-13.16,;9.26,-11.91,;7.73,-10.32,;6.39,-9.55,;3.72,-12.63,;3.72,-14.17,;2.39,-14.94,;1.06,-14.17,;-.28,-14.94,;1.06,-12.63,;2.39,-11.86,;2.39,-7.24,;2.39,-5.7,;-6.85,3.54,;-8.39,3.54,)| Show InChI InChI=1S/C45H53Cl2N7O7S/c1-45(2)17-16-31(38(25-45)30-6-8-32(46)9-7-30)28-52-18-20-53(21-19-52)33-10-14-37(42(22-33)61-35-23-39(47)43(48)50-27-35)44(55)51-62(58,59)36-13-15-40(41(24-36)54(56)57)49-26-29-4-11-34(60-3)12-5-29/h6-10,13-15,22-24,27,29,34,49H,4-5,11-12,16-21,25-26,28H2,1-3H3,(H2,48,50)(H,51,55) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.00500 | -64.5 | 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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