Found 42 hits of ki data for polymerid = 50000332 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 |
|---|
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50270877
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1 | PDB
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| Article
PubMed
| <0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to BH3 binding groove of BclXL |
J Med Chem 51: 3661-80 (2008)
Article DOI: 10.1021/jm8000373
BindingDB Entry DOI: 10.7270/Q2N58M4H |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-XL assessed as inhibition of Bcl-XL-BAD derived peptide interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526
BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50274325
((R)-4-(4-((2-(4-Chlorophenyl)-5,5-dimethylcyclohex...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1 |r,t:44| Show InChI InChI=1S/C44H53ClN6O5S2/c1-44(2)22-20-40(32-10-14-35(45)15-11-32)34(29-44)30-49-24-26-50(27-25-49)37-16-12-33(13-17-37)43(52)47-58(55,56)39-18-19-41(42(28-39)51(53)54)46-36(21-23-48(3)4)31-57-38-8-6-5-7-9-38/h5-19,28,36,46H,20-27,29-31H2,1-4H3,(H,47,52)/t36-/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of fluorescein labeled BAD peptide from Bcl-XL (unknown origin) by fluorescence polarization assay |
J Med Chem 51: 6902-15 (2008)
Article DOI: 10.1021/jm800669s
BindingDB Entry DOI: 10.7270/Q2057FR7 |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50274315
((R)-4-(4-((4'-Chlorobiphenyl-2-yl)methyl)piperazin...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H46ClN5O3S2/c1-46(2)25-24-37(31-52-39-9-4-3-5-10-39)44-36-18-22-40(23-19-36)53(50,51)45-42(49)33-14-20-38(21-15-33)48-28-26-47(27-29-48)30-34-8-6-7-11-41(34)32-12-16-35(43)17-13-32/h3-23,37,44H,24-31H2,1-2H3,(H,45,49)/t37-/m1/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of fluorescein labeled BAD peptide from Bcl-XL (unknown origin) by fluorescence polarization assay |
J Med Chem 51: 6902-15 (2008)
Article DOI: 10.1021/jm800669s
BindingDB Entry DOI: 10.7270/Q2057FR7 |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568338
(CHEMBL4872320)Show SMILES OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12 | PDB
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| PC cid
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568328
(CHEMBL4864929)Show SMILES Cc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| PC cid
PC sid
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| Article
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568326
(CHEMBL4872671)Show SMILES OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12 | PDB
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| PC cid
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568330
(CHEMBL4855114)Show SMILES CCc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| PC cid
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568325
(CHEMBL4870608)Show SMILES Cc1cccc(c1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| Article
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| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM23223
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 | PDB
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| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568324
(CHEMBL4860820)Show SMILES OC(=O)c1ccc(Cl)cc1-c1cccc2n(CCCOc3cccc4ccccc34)ccc12 | PDB
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568340
(CHEMBL4852823)Show SMILES COc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568322
(CHEMBL4864735)Show SMILES Cc1cccc(c1)-c1cn(CCCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50208819
(2-{2,3,4-trihydroxy-5-[methyl-(3-phenylpropyl)sulf...)Show SMILES CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(cc3C2)S(=O)(=O)NCCc2ccccc2)c(O)c(O)c1O Show InChI InChI=1S/C34H37N3O8S2/c1-36(19-8-13-24-9-4-2-5-10-24)47(44,45)30-22-29(31(38)33(40)32(30)39)34(41)37-20-17-26-14-15-28(21-27(26)23-37)46(42,43)35-18-16-25-11-6-3-7-12-25/h2-7,9-12,14-15,21-22,35,38-40H,8,13,16-20,23H2,1H3 | PDB
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| 638 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of FAM-Bak BH3 peptide from human Bcl-xL by FP-based binding assay |
J Med Chem 50: 1723-6 (2007)
Article DOI: 10.1021/jm061400l
BindingDB Entry DOI: 10.7270/Q2NV9HXV |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568336
(CHEMBL4870458)Show SMILES Cc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568334
(CHEMBL4846508)Show SMILES Cc1ccc(cc1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568341
(CHEMBL4870837)Show SMILES OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3ccccc3)c12 | PDB
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| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568332
(CHEMBL4856143)Show SMILES COc1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568329
(CHEMBL4876348)Show SMILES Cc1ccc(cc1)-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372177
(CHEMBL404899)Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C40H32N2O8S4/c43-35-33(53-39(51)41(35)31(37(45)46)21-25-7-3-1-4-8-25)23-27-11-15-29(16-12-27)49-19-20-50-30-17-13-28(14-18-30)24-34-36(44)42(40(52)54-34)32(38(47)48)22-26-9-5-2-6-10-26/h1-18,23-24,31-32H,19-22H2,(H,45,46)(H,47,48)/b33-23-,34-24-/t31-,32-/m0/s1 | PDB
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| 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50376902
(CHEMBL408194)Show SMILES COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 |c:4,t:2| Show InChI InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10- | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of BH3 peptide binding to human recombinant BCL-XL by fluorescence polarization assay |
Proc Natl Acad Sci USA 104: 19512-7 (2007)
Article DOI: 10.1073/pnas.0709443104
BindingDB Entry DOI: 10.7270/Q24F1RMW |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568339
(CHEMBL4876147)Show SMILES OC(=O)c1ccccc1-c1cccc2n(Cc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12 | PDB
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| PC cid
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UniChem
| Article
PubMed
| 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50371611
(CHEMBL258819)Show SMILES Oc1c(O)c(cc(C(=O)c2ccc(Oc3ccccc3)cc2)c1O)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C27H17NO6S/c29-22(15-10-12-17(13-11-15)34-16-6-2-1-3-7-16)18-14-19(24(31)26(33)23(18)30)25(32)27-28-20-8-4-5-9-21(20)35-27/h1-14,30-31,33H | PDB
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| Article
PubMed
| 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human Bcl-xL protein by fluorescence polarization assay |
J Med Chem 51: 717-20 (2008)
Article DOI: 10.1021/jm701358v
BindingDB Entry DOI: 10.7270/Q2JD4XNX |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50214871
(1,4-bis(5,6,7-trihydroxy-8-isobutyl-2-methyl-4-oxo...)Show SMILES CC(C)Cc1c(O)c(O)c(O)c2c1oc(C)c(-c1ccc(cc1)-c1c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c1=O)c2=O Show InChI InChI=1S/C34H34O10/c1-13(2)11-19-25(35)31(41)29(39)23-27(37)21(15(5)43-33(19)23)17-7-9-18(10-8-17)22-16(6)44-34-20(12-14(3)4)26(36)32(42)30(40)24(34)28(22)38/h7-10,13-14,35-36,39-42H,11-12H2,1-6H3 | PDB
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PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of FAM-Bim peptide from human Bcl-XL by fluorescence polarization assay |
J Med Chem 50: 3163-6 (2007)
Article DOI: 10.1021/jm070383c
BindingDB Entry DOI: 10.7270/Q2NZ87BK |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568337
(CHEMBL4872495)Show SMILES COc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| Article
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| 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568333
(CHEMBL4859740)Show SMILES Cc1cccc(-c2cn(CCOc3cccc4ccccc34)c3cccc(-c4ccccc4C(O)=O)c23)c1C | PDB
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50371612
(CHEMBL259034)Show SMILES Oc1c(O)c(cc(C(=O)c2cccc3ccccc23)c1O)C(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C30H20O6/c31-26(19-13-15-21(16-14-19)36-20-9-2-1-3-10-20)24-17-25(29(34)30(35)28(24)33)27(32)23-12-6-8-18-7-4-5-11-22(18)23/h1-17,33-35H | PDB
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| Article
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| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human Bcl-xL protein by fluorescence polarization assay |
J Med Chem 51: 717-20 (2008)
Article DOI: 10.1021/jm701358v
BindingDB Entry DOI: 10.7270/Q2JD4XNX |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568331
(CHEMBL4875429)Show SMILES CC(C)c1ccccc1-c1cn(CCOc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| Article
PubMed
| 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568335
(CHEMBL4865871)Show SMILES Cc1cccc(c1)-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(O)=O)c12 | PDB
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| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372180
(CHEMBL270646)Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C42H36N2O9S4/c45-37-35(56-41(54)43(37)33(39(47)48)23-27-7-3-1-4-8-27)25-29-11-15-31(16-12-29)52-21-19-51-20-22-53-32-17-13-30(14-18-32)26-36-38(46)44(42(55)57-36)34(40(49)50)24-28-9-5-2-6-10-28/h1-18,25-26,33-34H,19-24H2,(H,47,48)(H,49,50)/b35-25-,36-26-/t33-,34-/m0/s1 | PDB
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| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372178
(CHEMBL406312)Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C39H30N2O8S4/c42-34-32(52-38(50)40(34)30(36(44)45)19-24-7-3-1-4-8-24)21-26-11-15-28(16-12-26)48-23-49-29-17-13-27(14-18-29)22-33-35(43)41(39(51)53-33)31(37(46)47)20-25-9-5-2-6-10-25/h1-18,21-22,30-31H,19-20,23H2,(H,44,45)(H,46,47)/b32-21-,33-22-/t30-,31-/m0/s1 | PDB
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PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568323
(CHEMBL4878113)Show SMILES OC(=O)c1ccccc1-c1cccc2n(CCCOc3cccc4ccccc34)cc(-c3cccc(c3)C(F)(F)F)c12 | PDB
NCI pathway
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| PC cid
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UniChem
| Article
PubMed
| 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568327
(CHEMBL4868913)Show SMILES OC(=O)c1ccccc1-c1cccc2n(CCOc3cccc4ccccc34)cc(-c3cccc(Cl)c3)c12 | PDB
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| PC cid
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| Article
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| 3.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50568321
(CHEMBL4860027)Show SMILES OC(=O)c1ccccc1-c1cccc2n(CCCOc3cccc4ccccc34)ccc12 | PDB
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| Article
PubMed
| 4.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50202277
((S)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C19H14BrNO3S2/c20-14-8-6-13(7-9-14)11-16-17(22)21(19(25)26-16)15(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,23,24)/b16-11-/t15-/m0/s1 | PDB
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PubMed
| 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372176
(CHEMBL272974)Show SMILES OC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCCOCCOCCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(O)=O)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C44H40N2O10S4/c47-39-37(59-43(57)45(39)35(41(49)50)25-29-7-3-1-4-8-29)27-31-11-15-33(16-12-31)55-23-21-53-19-20-54-22-24-56-34-17-13-32(14-18-34)28-38-40(48)46(44(58)60-38)36(42(51)52)26-30-9-5-2-6-10-30/h1-18,27-28,35-36H,19-26H2,(H,49,50)(H,51,52)/b37-27-,38-28-/t35-,36-/m0/s1 | PDB
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PubMed
| 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
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| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128215
BindingDB Entry DOI: 10.7270/Q2K35ZDS |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372173
(CHEMBL404644)Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(OCOc3ccc(\C=C4/SC(=S)N([C@@H](Cc5ccccc5)C(=O)OCC)C4=O)cc3)cc2)C1=O Show InChI InChI=1S/C43H38N2O8S4/c1-3-50-40(48)34(23-28-11-7-5-8-12-28)44-38(46)36(56-42(44)54)25-30-15-19-32(20-16-30)52-27-53-33-21-17-31(18-22-33)26-37-39(47)45(43(55)57-37)35(41(49)51-4-2)24-29-13-9-6-10-14-29/h5-22,25-26,34-35H,3-4,23-24,27H2,1-2H3/b36-25-,37-26-/t34-,35-/m0/s1 | PDB
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PubMed
| 5.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372179
(CHEMBL402066)Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C42H34Br2N2O7S4/c43-31-15-11-29(12-16-31)25-35-37(47)45(41(54)56-35)33(23-27-7-3-1-4-8-27)39(49)52-21-19-51-20-22-53-40(50)34(24-28-9-5-2-6-10-28)46-38(48)36(57-42(46)55)26-30-13-17-32(44)18-14-30/h1-18,25-26,33-34H,19-24H2/b35-25-,36-26-/t33-,34-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 1.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372174
(CHEMBL256858)Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOCCOCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C44H38Br2N2O8S4/c45-33-15-11-31(12-16-33)27-37-39(49)47(43(57)59-37)35(25-29-7-3-1-4-8-29)41(51)55-23-21-53-19-20-54-22-24-56-42(52)36(26-30-9-5-2-6-10-30)48-40(50)38(60-44(48)58)28-32-13-17-34(46)18-14-32/h1-18,27-28,35-36H,19-26H2/b37-27-,38-28-/t35-,36-/m0/s1 | PDB
NCI pathway
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UniChem
Similars
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PubMed
| 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372175
(CHEMBL272110)Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCCOC(=O)[C@H](Cc3ccccc3)N3C(=S)S\C(=C/c4ccc(Br)cc4)C3=O)C2=O)cc1 Show InChI InChI=1S/C40H30Br2N2O6S4/c41-29-15-11-27(12-16-29)23-33-35(45)43(39(51)53-33)31(21-25-7-3-1-4-8-25)37(47)49-19-20-50-38(48)32(22-26-9-5-2-6-10-26)44-36(46)34(54-40(44)52)24-28-13-17-30(42)18-14-28/h1-18,23-24,31-32H,19-22H2/b33-23-,34-24-/t31-,32-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.34E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50372172
(CHEMBL257687)Show SMILES CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C21H18BrNO3S2/c1-2-26-20(25)17(12-14-6-4-3-5-7-14)23-19(24)18(28-21(23)27)13-15-8-10-16(22)11-9-15/h3-11,13,17H,2,12H2,1H3/b18-13-/t17-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.76E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Minneapolis
Curated by ChEMBL
| Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-Xl |
Bioorg Med Chem Lett 18: 236-40 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.088
BindingDB Entry DOI: 10.7270/Q2WM1F7S |
More data for this
Ligand-Target Pair | |
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