Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50384329' 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)) | BDBM50384329
(CHEMBL2030864 | US9346795, 252)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |(-.35,-2.86,;.94,-3.7,;2.31,-3,;2.4,-1.46,;3.78,-.76,;5.2,-.17,;5.07,1.37,;6.24,2.37,;5.96,3.88,;3.58,1.72,;2.77,.41,;1.24,.4,;.46,1.73,;-1.08,1.72,;-1.84,.38,;-3.38,.36,;-4.16,1.69,;-5.7,1.67,;-6.48,2.99,;-5.73,4.34,;-4.19,4.35,;-3.43,5.69,;-3.41,3.02,;-1.05,-.96,;.48,-.94,;6.51,-.97,;7.86,-.24,;9.19,-1.04,;9.14,-2.59,;7.79,-3.32,;6.47,-2.51,;5.12,-3.24,;3.81,-2.43,;5.07,-4.78,;3.72,-5.51,;3.68,-7.04,;4.98,-7.85,;4.93,-9.38,;6.24,-10.2,;7.59,-9.48,;7.65,-7.93,;6.34,-7.13,;6.39,-5.58,;10.45,-3.39,;11.81,-2.66,;10.41,-4.93,;11.73,-5.75,;10.95,-7.08,;12.49,-7.08,;13.07,-4.99,;13.1,-3.45,;14.44,-2.69,;15.76,-3.47,;17.11,-2.71,;18.44,-3.49,;18.43,-5.05,;17.08,-5.81,;17.06,-7.35,;15.75,-5.02,;14.4,-5.78,)| Show InChI InChI=1S/C47H40Cl2N4O6S/c1-2-3-14-44-45(43(29-54)50-53(44)35-17-19-36(20-18-35)59-37-12-7-11-34(48)26-37)39-22-16-32(25-41(39)47(56)52-24-23-30-8-4-5-9-33(30)28-52)46(55)51-60(57,58)38-21-15-31-10-6-13-42(49)40(31)27-38/h4-13,15-22,25-27,54H,2-3,14,23-24,28-29H2,1H3,(H,51,55) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384329
(CHEMBL2030864 | US9346795, 252)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |(-.35,-2.86,;.94,-3.7,;2.31,-3,;2.4,-1.46,;3.78,-.76,;5.2,-.17,;5.07,1.37,;6.24,2.37,;5.96,3.88,;3.58,1.72,;2.77,.41,;1.24,.4,;.46,1.73,;-1.08,1.72,;-1.84,.38,;-3.38,.36,;-4.16,1.69,;-5.7,1.67,;-6.48,2.99,;-5.73,4.34,;-4.19,4.35,;-3.43,5.69,;-3.41,3.02,;-1.05,-.96,;.48,-.94,;6.51,-.97,;7.86,-.24,;9.19,-1.04,;9.14,-2.59,;7.79,-3.32,;6.47,-2.51,;5.12,-3.24,;3.81,-2.43,;5.07,-4.78,;3.72,-5.51,;3.68,-7.04,;4.98,-7.85,;4.93,-9.38,;6.24,-10.2,;7.59,-9.48,;7.65,-7.93,;6.34,-7.13,;6.39,-5.58,;10.45,-3.39,;11.81,-2.66,;10.41,-4.93,;11.73,-5.75,;10.95,-7.08,;12.49,-7.08,;13.07,-4.99,;13.1,-3.45,;14.44,-2.69,;15.76,-3.47,;17.11,-2.71,;18.44,-3.49,;18.43,-5.05,;17.08,-5.81,;17.06,-7.35,;15.75,-5.02,;14.4,-5.78,)| Show InChI InChI=1S/C47H40Cl2N4O6S/c1-2-3-14-44-45(43(29-54)50-53(44)35-17-19-36(20-18-35)59-37-12-7-11-34(48)26-37)39-22-16-32(25-41(39)47(56)52-24-23-30-8-4-5-9-33(30)28-52)46(55)51-60(57,58)38-21-15-31-10-6-13-42(49)40(31)27-38/h4-13,15-22,25-27,54H,2-3,14,23-24,28-29H2,1H3,(H,51,55) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6.37 | n/a | n/a | n/a | n/a | n/a | 25 |
Bristol-Myers Squibb Company
US Patent
| Assay Description
The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 μl prepared from additions of Gst-Bcl-2 (Bcl-2: GE... |
US Patent US9346795 (2016)
BindingDB Entry DOI: 10.7270/Q2SF2V27 |
More data for this
Ligand-Target Pair | |
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