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Compile Data Set for Download or QSAR

Found 225 hits Enz. Inhib. hit(s) with Target = 'BCL-W' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
pHTemp
°C
BCL-W


(Homo sapiens (Human))
BDBM50030754
PNG
(CHEMBL3342332)
Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1
Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
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19n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to BCL-W (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50357756
PNG
(CHEMBL1916194)
Show SMILES CC(C)[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H47F3N6O5S2/c1-28(2)38-26-47(25-30-10-8-9-13-35(30)40(41,42)43)22-23-48(38)32-16-14-29(15-17-32)39(50)45-56(53,54)34-18-19-36(37(24-34)49(51)52)44-31(20-21-46(3)4)27-55-33-11-6-5-7-12-33/h5-19,24,28,31,38,44H,20-23,25-27H2,1-4H3,(H,45,50)/t31-,38+/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
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49n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50357753
PNG
(CHEMBL1916191)
Show SMILES C[C@@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43F3N6O5S2/c1-27-24-46(22-21-45(27)25-29-9-7-8-12-34(29)38(39,40)41)31-15-13-28(14-16-31)37(48)43-54(51,52)33-17-18-35(36(23-33)47(49)50)42-30(19-20-44(2)3)26-53-32-10-5-4-6-11-32/h4-18,23,27,30,42H,19-22,24-26H2,1-3H3,(H,43,48)/t27-,30-/m1/s1
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55n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50357755
PNG
(CHEMBL1916193)
Show SMILES CC(C)[C@H]1CN(Cc2ccccc2C(F)(F)F)CCN1c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C40H47F3N6O5S2/c1-28(2)38-26-47(25-30-10-8-9-13-35(30)40(41,42)43)22-23-48(38)32-16-14-29(15-17-32)39(50)45-56(53,54)34-18-19-36(37(24-34)49(51)52)44-31(20-21-46(3)4)27-55-33-11-6-5-7-12-33/h5-19,24,28,31,38,44H,20-23,25-27H2,1-4H3,(H,45,50)/t31-,38-/m1/s1
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59n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50357752
PNG
(CHEMBL1916190)
Show SMILES C[C@H]1CN(CCN1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43F3N6O5S2/c1-27-24-46(22-21-45(27)25-29-9-7-8-12-34(29)38(39,40)41)31-15-13-28(14-16-31)37(48)43-54(51,52)33-17-18-35(36(23-33)47(49)50)42-30(19-20-44(2)3)26-53-32-10-5-4-6-11-32/h4-18,23,27,30,42H,19-22,24-26H2,1-3H3,(H,43,48)/t27-,30+/m0/s1
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63n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50357754
PNG
(CHEMBL1916192)
Show SMILES CC1CN(CC(C)N1Cc1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C39H45F3N6O5S2/c1-27-23-46(24-28(2)47(27)25-30-10-8-9-13-35(30)39(40,41)42)32-16-14-29(15-17-32)38(49)44-55(52,53)34-18-19-36(37(22-34)48(50)51)43-31(20-21-45(3)4)26-54-33-11-6-5-7-12-33/h5-19,22,27-28,31,43H,20-21,23-26H2,1-4H3,(H,44,49)/t27?,28?,31-/m1/s1
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170n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50078160
PNG
(CHEMBL3417701)
Show SMILES Cc1nn(C)c(COc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C45H52N6O7S/c1-32-42(40(47(2)46-32)31-58-35-18-16-34(17-19-35)49-21-23-50(24-22-49)59(3,54)55)39-13-7-12-37-38(14-8-28-57-41-15-6-10-33-9-4-5-11-36(33)41)44(45(52)53)51(43(37)39)25-20-48-26-29-56-30-27-48/h4-7,9-13,15-19H,8,14,20-31H2,1-3H3,(H,52,53)
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>660n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-W (unknown origin) after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50376902
PNG
(CHEMBL408194)
Show SMILES COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1
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-
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1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of BH3 peptide binding to human recombinant BCL-w by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372177
PNG
(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
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1.30E+3n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013865
PNG
(CHEMBL3265297)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H18ClNO5S2/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(30,31)26-21-13-22(32-14-23(27)28)24(29)20-4-2-1-3-19(20)21/h1-13,26,29H,14H2,(H,27,28)
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1.36E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013867
PNG
(CHEMBL3265299)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO6S2/c26-23(27)15-32-22-14-21(19-8-4-5-9-20(19)24(22)28)25-33(29,30)18-12-10-17(11-13-18)31-16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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1.58E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013862
PNG
(CHEMBL3265294)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-8-4-5-9-20(19)24(22)28)25-32(29,30)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-14,25,28H,15H2,(H,26,27)
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1.92E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013863
PNG
(CHEMBL3265295)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-22-14-21(19-11-4-5-12-20(19)24(22)28)25-32(29,30)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-14,25,28H,15H2,(H,26,27)
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2.19E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372180
PNG
(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
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2.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372178
PNG
(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
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2.30E+3n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013864
PNG
(CHEMBL3265296)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C24H19NO5S2/c26-23(27)15-31-21-14-20(18-11-4-5-12-19(18)24(21)28)25-32(29,30)22-13-7-6-10-17(22)16-8-2-1-3-9-16/h1-14,25,28H,15H2,(H,26,27)
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4.41E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202271
PNG
(2-[5-(phenyl(4-biphenyl)methylidene)-4-oxo-2-thiox...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C(\c2ccccc2)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C28H25NO3S2/c1-18(2)17-23(27(31)32)29-26(30)25(34-28(29)33)24(21-11-7-4-8-12-21)22-15-13-20(14-16-22)19-9-5-3-6-10-19/h3-16,18,23H,17H2,1-2H3,(H,31,32)/b25-24-/t23-/m0/s1
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6.98E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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8.19E+3n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50251652
PNG
(Biphenyl-4-carboxylic acid {[4-(adamantan-1-ylamin...)
Show SMILES CN(CC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H34N4O4/c1-35(31(38)26-9-7-25(8-10-26)24-5-3-2-4-6-24)20-30(37)33-27-11-12-28(29(16-27)36(39)40)34-32-17-21-13-22(18-32)15-23(14-21)19-32/h2-12,16,21-23,34H,13-15,17-20H2,1H3,(H,33,37)
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9.43E+3n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of 5-carboxyfluorescein-labeled Flu-Bak-BH3 peptide binding to Bcl-w by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50251651
PNG
(Biphenyl-4-carboxylic acid methyl-[(3-nitro-4-pipe...)
Show SMILES CN(CC(=O)Nc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O4/c1-29(27(33)22-12-10-21(11-13-22)20-8-4-2-5-9-20)19-26(32)28-23-14-15-24(25(18-23)31(34)35)30-16-6-3-7-17-30/h2,4-5,8-15,18H,3,6-7,16-17,19H2,1H3,(H,28,32)
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1.08E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of 5-carboxyfluorescein-labeled Flu-Bak-BH3 peptide binding to Bcl-w by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50251616
PNG
(CHEMBL521427 | biphenyl-4-carboxylic acid methyl-[...)
Show SMILES CN(CC(=O)Nc1ccc(N2CCSCC2)c(c1)[N+]([O-])=O)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O4S/c1-28(26(32)21-9-7-20(8-10-21)19-5-3-2-4-6-19)18-25(31)27-22-11-12-23(24(17-22)30(33)34)29-13-15-35-16-14-29/h2-12,17H,13-16,18H2,1H3,(H,27,31)
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1.30E+4n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of 5-carboxyfluorescein-labeled Flu-Bak-BH3 peptide binding to Bcl-w by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372176
PNG
(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
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1.37E+4n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM23223
PNG
(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
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
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1.77E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50200960
PNG
(CHEMBL216089 | ethyl 2-amino-6-(4-tert-butylphenyl...)
Show SMILES CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H30N2O5/c1-6-32-25(30)20(15-28)22-19-14-17(16-8-11-18(12-9-16)27(3,4)5)10-13-21(19)34-24(29)23(22)26(31)33-7-2/h8-14,20,22-23,29H,6-7H2,1-5H3
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2.03E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to Bclw by FP assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202277
PNG
((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
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2.15E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202277
PNG
((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
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2.15E+4n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202275
PNG
(2-[5-(1-phenylbutylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CCC\C(=C1\SC(=S)N([C@@H](CC(C)C)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C19H23NO3S2/c1-4-8-14(13-9-6-5-7-10-13)16-17(21)20(19(24)25-16)15(18(22)23)11-12(2)3/h5-7,9-10,12,15H,4,8,11H2,1-3H3,(H,22,23)/b16-14-/t15-/m0/s1
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2.41E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50200964
PNG
(CHEMBL219234 | ethyl 2-amino-6-cyclopentyl-4-(1-cy...)
Show SMILES CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)C1CCCC1
Show InChI InChI=1S/C22H26N2O5/c1-3-27-21(25)16(12-23)18-15-11-14(13-7-5-6-8-13)9-10-17(15)29-20(24)19(18)22(26)28-4-2/h9-11,13,16,18-19,24H,3-8H2,1-2H3
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3.08E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to Bclw by FP assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202283
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H16BrNO3S2/c1-9(2)7-12(15(20)21)18-14(19)13(23-16(18)22)8-10-3-5-11(17)6-4-10/h3-6,8-9,12H,7H2,1-2H3,(H,20,21)/b13-8-/t12-/m0/s1
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3.12E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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3.75E+4n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence ...


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372173
PNG
(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
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3.92E+4n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202272
PNG
(2-[5-(1-phenylbutylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CCC\C(=C1\SC(=S)N([C@@H](Cc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3S2/c1-2-9-17(16-12-7-4-8-13-16)19-20(24)23(22(27)28-19)18(21(25)26)14-15-10-5-3-6-11-15/h3-8,10-13,18H,2,9,14H2,1H3,(H,25,26)/b19-17-/t18-/m0/s1
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4.11E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50200962
PNG
(CHEMBL219366 | ethyl 2-amino-6-phenyl-4-(1-cyano-2...)
Show SMILES CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C23H22N2O5/c1-3-28-22(26)17(13-24)19-16-12-15(14-8-6-5-7-9-14)10-11-18(16)30-21(25)20(19)23(27)29-4-2/h5-12,17,19-20,25H,3-4H2,1-2H3
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4.12E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to Bclw by FP assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202269
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C21H15BrN2O3S2/c22-14-7-5-12(6-8-14)9-18-19(25)24(21(28)29-18)17(20(26)27)10-13-11-23-16-4-2-1-3-15(13)16/h1-9,11,17,23H,10H2,(H,26,27)/b18-9-/t17-/m0/s1
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5.42E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50200963
PNG
(CHEMBL425792 | ethyl 2-amino-6-n-propyl-4-(1-cyano...)
Show SMILES CCCc1ccc2OC(=N)C(C(C(C#N)C(=O)OCC)c2c1)C(=O)OCC
Show InChI InChI=1S/C20H24N2O5/c1-4-7-12-8-9-15-13(10-12)16(14(11-21)19(23)25-5-2)17(18(22)27-15)20(24)26-6-3/h8-10,14,16-17,22H,4-7H2,1-3H3
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5.67E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to Bclw by FP assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202270
PNG
(2-propenyl 2-[5-(4-bromobenzylidene)-4-oxo-2-thiox...)
Show SMILES Brc1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCC=C)C2=O)cc1
Show InChI InChI=1S/C22H18BrNO3S2/c1-2-12-27-21(26)18(13-15-6-4-3-5-7-15)24-20(25)19(29-22(24)28)14-16-8-10-17(23)11-9-16/h2-11,14,18H,1,12-13H2/b19-14-/t18-/m0/s1
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5.68E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202282
PNG
(2-[5-(1-phenylethylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CC(C)C[C@H](N1C(=S)S\C(=C(\C)c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C17H19NO3S2/c1-10(2)9-13(16(20)21)18-15(19)14(23-17(18)22)11(3)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,20,21)/b14-11-/t13-/m0/s1
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5.83E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50024671
PNG
(CHEMBL2374449)
Show SMILES CCSCCCCC(c1ccc(O)cc1)C(C)(CC)c1ccc(O)cc1
Show InChI InChI=1S/C23H32O2S/c1-4-23(3,19-11-15-21(25)16-12-19)22(8-6-7-17-26-5-2)18-9-13-20(24)14-10-18/h9-16,22,24-25H,4-8,17H2,1-3H3
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5.93E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to Bclw by FP assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202274
PNG
(2-[5-(diphenylmethylidene)-4-oxo-2-thioxothiazolid...)
Show SMILES CC(C)C[C@H](N1C(=S)SC(=C(c2ccccc2)c2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C22H21NO3S2/c1-14(2)13-17(21(25)26)23-20(24)19(28-22(23)27)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,25,26)/t17-/m0/s1
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6.19E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202278
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CSCC[C@H](N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S3/c1-22-7-6-11(14(19)20)17-13(18)12(23-15(17)21)8-9-2-4-10(16)5-3-9/h2-5,8,11H,6-7H2,1H3,(H,19,20)/b12-8-/t11-/m0/s1
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8.80E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372174
PNG
(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
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8.83E+4n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372179
PNG
(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
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9.90E+4n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372175
PNG
(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
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1.01E+5n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM25524
PNG
(17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyc...)
Show SMILES COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
Show InChI InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
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1.06E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202276
PNG
(2-propenyl 2-[5-biphenylmethylidene-4-oxo-2-thioxo...)
Show SMILES C=CCOC(=O)[C@H](Cc1ccccc1)N1C(=S)SC(=C(c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C28H23NO3S2/c1-2-18-32-27(31)23(19-20-12-6-3-7-13-20)29-26(30)25(34-28(29)33)24(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,23H,1,18-19H2/t23-/m0/s1
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1.16E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50372172
PNG
(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
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1.16E+5n/an/an/an/an/an/an/an/a



University of Minnesota Minneapolis

Curated by ChEMBL


Assay Description
Inhibition of Bak peptide binding to human recombinant Bcl-w


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50200961
PNG
(CHEMBL384519 | ethyl 2-amino-6-ethyl-4-(1-cyano-2-...)
Show SMILES CCOC(=O)C(C#N)C1C(C(=O)OCC)C(=N)Oc2ccc(CC)cc12
Show InChI InChI=1S/C19H22N2O5/c1-4-11-7-8-14-12(9-11)15(13(10-20)18(22)24-5-2)16(17(21)26-14)19(23)25-6-3/h7-9,13,15-16,21H,4-6H2,1-3H3
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1.21E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to Bclw by FP assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50202280
PNG
(2-[5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidi...)
Show SMILES CC(C)C(N1C(=S)S\C(=C\c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7+
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1.24E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
BCL-W


(Homo sapiens (Human))
BDBM50107132
PNG
((2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxyb...)
Show SMILES CCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
Show InChI InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1
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1.27E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of Flu-Bak peptide from recombinant antiapoptopic Bcl-w protein by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
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