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Compile Data Set for Download or QSAR

Found 356 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1'   
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-2-related protein A1


(Homo sapiens (human))
BDBM39156
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(2-hydroxy...)
Show SMILES OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H16Cl3N3O3/c17-11-2-1-10(9-12(11)18)22-15(24)13(19)14(16(22)25)21-5-3-20(4-6-21)7-8-23/h1-2,9,23H,3-8H2
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n/an/a 240n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313364
PNG
((2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylphen...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H28O5/c1-3-14-5-7-15(8-6-14)10-17-11-16(9-4-13(17)2)22-21(26)20(25)19(24)18(12-23)27-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39146
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[2-(2-hydr...)
Show SMILES OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H20Cl3N3O4/c19-13-2-1-12(11-14(13)20)24-17(26)15(21)16(18(24)27)23-5-3-22(4-6-23)7-9-28-10-8-25/h1-2,11,25H,3-10H2
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n/an/a 300n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39124
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(dimethylamin...)
Show SMILES CN(C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H9Cl3N2O2/c1-16(2)10-9(15)11(18)17(12(10)19)6-3-4-7(13)8(14)5-6/h3-5H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39124
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(dimethylamin...)
Show SMILES CN(C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H9Cl3N2O2/c1-16(2)10-9(15)11(18)17(12(10)19)6-3-4-7(13)8(14)5-6/h3-5H,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39146
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[2-(2-hydr...)
Show SMILES OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H20Cl3N3O4/c19-13-2-1-12(11-14(13)20)24-17(26)15(21)16(18(24)27)23-5-3-22(4-6-23)7-9-28-10-8-25/h1-2,11,25H,3-10H2
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n/an/a 400n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31809
PNG
(Apogossypol derivative, 8k)
Show SMILES CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1
Show InChI InChI=1S/C40H34Cl2N2O8/c1-17-13-25-27(15-29(45)37(49)33(25)39(51)43-19(3)21-5-9-23(41)10-6-21)35(47)31(17)32-18(2)14-26-28(36(32)48)16-30(46)38(50)34(26)40(52)44-20(4)22-7-11-24(42)12-8-22/h5-16,19-20,45-50H,1-4H3,(H,43,51)(H,44,52)
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n/an/a 400n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31810
PNG
(Apogossypol derivative, 8r)
Show SMILES CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)
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n/an/a 420n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 4166-76 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313335
PNG
(6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidin...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)14-8-6-13(7-9-14)22-17(23)15-10-16(20-11-19-15)21-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,22,23)(H2,18,24,25)(H,19,20,21)
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n/an/a 450n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31805
PNG
(Apogossypol derivative, 8n)
Show SMILES Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O
Show InChI InChI=1S/C40H36N2O8/c1-21-17-25-27(19-29(43)37(47)33(25)39(49)41-15-13-23-9-5-3-6-10-23)35(45)31(21)32-22(2)18-26-28(36(32)46)20-30(44)38(48)34(26)40(50)42-16-14-24-11-7-4-8-12-24/h3-12,17-20,43-48H,13-16H2,1-2H3,(H,41,49)(H,42,50)
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n/an/a 550n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39147
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM34194
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-methylpipe...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-4-6-20(7-5-19)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)8-9/h2-3,8H,4-7H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39156
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(2-hydroxy...)
Show SMILES OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H16Cl3N3O3/c17-11-2-1-10(9-12(11)18)22-15(24)13(19)14(16(22)25)21-5-3-20(4-6-21)7-8-23/h1-2,9,23H,3-8H2
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n/an/a 620n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50316672
PNG
((R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-((...)
Show SMILES C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 4166-76 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50316672
PNG
((R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-((...)
Show SMILES C[C@@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 4166-76 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330250
PNG
(5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccccc2)c1O
Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-16,37-44H,1-2H2
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n/an/a 650n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 8000-11 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM142756
PNG
(US8937193, 6i)
Show SMILES Cc1c(-c2c(C)c(=O)c3c(Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-12,15-16,37-38,41-42H,13-14H2,1-2H3
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US Patent
n/an/a 650n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31811
PNG
(Apogossypol derivative, 8s)
Show SMILES Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O
Show InChI InChI=1S/C42H36N2O8/c1-19-11-27-29(17-31(45)39(49)35(27)41(51)43-25-13-21-7-3-4-8-22(21)14-25)37(47)33(19)34-20(2)12-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-26-15-23-9-5-6-10-24(23)16-26/h3-12,17-18,25-26,45-50H,13-16H2,1-2H3,(H,43,51)(H,44,52)
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n/an/a 670n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330257
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-bis(2-ph...)
Show SMILES CC1=C(C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)Cc2ccccc2)C1=O
Show InChI InChI=1S/C38H26O10/c1-17-27(35(45)21-15-25(41)37(47)31(29(21)33(17)43)23(39)13-19-9-5-3-6-10-19)28-18(2)34(44)30-22(36(28)46)16-26(42)38(48)32(30)24(40)14-20-11-7-4-8-12-20/h3-12,15-16,41-42,47-48H,13-14H2,1-2H3
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n/an/a 690n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 8000-11 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM142749
PNG
(US8937193, 7)
Show SMILES Cc1c(-c2c(C)c(=O)c3c(C(=O)Cc4ccccc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C38H26O10/c1-17-27(35(45)21-15-25(41)37(47)31(29(21)33(17)43)23(39)13-19-9-5-3-6-10-19)28-18(2)34(44)30-22(36(28)46)16-26(42)38(48)32(30)24(40)14-20-11-7-4-8-12-20/h3-12,15-16,41-42,47-48H,13-14H2,1-2H3
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n/an/a 690n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39149
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-[(E)-3-phe...)
Show SMILES ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H20Cl3N3O2/c24-18-9-8-17(15-19(18)25)29-22(30)20(26)21(23(29)31)28-13-11-27(12-14-28)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/b7-4+
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n/an/a 690n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330256
PNG
(5,5'-Bis(4-chlorobenzyl)-6,6',7,7''-tetrahydroxy-3...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=Cc5ccc(Cl)cc5)c4c(O)c3=C)c(=C)c(O)c2c(=Cc2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C36H24Cl2O8/c1-15-27(35(45)23-13-25(39)33(43)21(29(23)31(15)41)11-17-3-7-19(37)8-4-17)28-16(2)32(42)30-22(12-18-5-9-20(38)10-6-18)34(44)26(40)14-24(30)36(28)46/h3-14,39-46H,1-2H2
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n/an/a 700n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 8000-11 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM142757
PNG
(US8937193, 6l)
Show SMILES Cc1c(-c2c(C)c(=O)c3c(Cc4ccc(Cl)cc4)c(O)c(O)cc3c2=O)c(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2c1=O
Show InChI InChI=1S/C36H24Cl2O8/c1-15-27(35(45)23-13-25(39)33(43)21(29(23)31(15)41)11-17-3-7-19(37)8-4-17)28-16(2)32(42)30-22(12-18-5-9-20(38)10-6-18)34(44)26(40)14-24(30)36(28)46/h3-10,13-14,39-40,43-44H,11-12H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM142746
PNG
(US8937193, 8a)
Show SMILES CC(CNC(=O)c1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(C(=O)NCC(C)c4ccccc4)c(O)c(O)cc3c1=O)c2=O)c1ccccc1
Show InChI InChI=1/C42H36N2O10/c1-19(23-11-7-5-8-12-23)17-43-41(53)33-31-25(15-27(45)39(33)51)37(49)29(21(3)35(31)47)30-22(4)36(48)32-26(38(30)50)16-28(46)40(52)34(32)42(54)44-18-20(2)24-13-9-6-10-14-24/h5-16,19-20,45-46,51-52H,17-18H2,1-4H3,(H,43,53)(H,44,54)
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n/an/a 710n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330258
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-1,1',4,4'-tet...)
Show SMILES CC(CNC(=O)c1c(O)c(O)cc2C(=O)C(=C(C)C(=O)c12)C1=C(C)C(=O)c2c(cc(O)c(O)c2C(=O)NCC(C)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C42H36N2O10/c1-19(23-11-7-5-8-12-23)17-43-41(53)33-31-25(15-27(45)39(33)51)37(49)29(21(3)35(31)47)30-22(4)36(48)32-26(38(30)50)16-28(46)40(52)34(32)42(54)44-18-20(2)24-13-9-6-10-14-24/h5-16,19-20,45-46,51-52H,17-18H2,1-4H3,(H,43,53)(H,44,54)
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n/an/a 710n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 8000-11 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31810
PNG
(Apogossypol derivative, 8r)
Show SMILES CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)
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n/an/a 730n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50316671
PNG
((S)-1,(R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl...)
Show SMILES C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 4166-76 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50316671
PNG
((S)-1,(R)-1,1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl...)
Show SMILES C[C@H](CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1
Show InChI InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled Bak BH3 peptide from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 4166-76 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM34194
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-methylpipe...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-4-6-20(7-5-19)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)8-9/h2-3,8H,4-7H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313335
PNG
(6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidin...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)14-8-6-13(7-9-14)22-17(23)15-10-16(20-11-19-15)21-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,22,23)(H2,18,24,25)(H,19,20,21)
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n/an/a 800n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39147
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[(3R)-3-methy...)
Show SMILES C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl3N3O2/c1-8-7-20(5-4-19-8)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)6-9/h2-3,6,8,19H,4-5,7H2,1H3/t8-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313365
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylbenz...)
Show SMILES CCc1ccc(Cc2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1
Show InChI InChI=1S/C23H30O6/c1-3-15-6-8-16(9-7-15)10-18-11-17(5-4-14(18)2)13-28-23-22(27)21(26)20(25)19(12-24)29-23/h4-9,11,19-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39143
PNG
(3-chloranyl-1-(2-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-6-8-19(9-7-18)13-12(17)14(21)20(15(13)22)11-5-3-2-4-10(11)16/h2-5H,6-9H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313363
PNG
(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)
Show SMILES OC(=O)CCNCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C25H33N5O3/c31-24(32)12-13-26-15-18-8-10-20(11-9-18)29-25(33)22-14-23(28-17-27-22)30(16-19-6-7-19)21-4-2-1-3-5-21/h8-11,14,17,19,21,26H,1-7,12-13,15-16H2,(H,29,33)(H,31,32)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39162
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-[4-(3-methoxy...)
Show SMILES COc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H18Cl3N3O3/c1-30-15-4-2-3-13(11-15)25-7-9-26(10-8-25)19-18(24)20(28)27(21(19)29)14-5-6-16(22)17(23)12-14/h2-6,11-12H,7-10H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39144
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330251
PNG
(CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...)
Show SMILES CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1
Show InChI InChI=1S/C44H40N2O10/c1-5-23-7-11-25(12-8-23)15-17-45-43(55)35-33-27(19-29(47)41(35)53)39(51)31(21(3)37(33)49)32-22(4)38(50)34-28(40(32)52)20-30(48)42(54)36(34)44(56)46-18-16-26-13-9-24(6-2)10-14-26/h7-14,19-20,47-48,53-54H,5-6,15-18H2,1-4H3,(H,45,55)(H,46,56)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 8000-11 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM142748
PNG
(US8937193, 8c)
Show SMILES CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2c(=O)c(C)c(-c2c(C)c(=O)c4c(C(=O)NCCc5ccc(CC)cc5)c(O)c(O)cc4c2=O)c3=O)cc1
Show InChI InChI=1S/C44H40N2O10/c1-5-23-7-11-25(12-8-23)15-17-45-43(55)35-33-27(19-29(47)41(35)53)39(51)31(21(3)37(33)49)32-22(4)38(50)34-28(40(32)52)20-30(48)42(54)36(34)44(56)46-18-16-26-13-9-24(6-2)10-14-26/h7-14,19-20,47-48,53-54H,5-6,15-18H2,1-4H3,(H,45,55)(H,46,56)
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US Patent
n/an/a 1.25E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39152
PNG
(3-(4-benzylpiperazin-1-yl)-4-chloro-1-(3,4-dichlor...)
Show SMILES ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H18Cl3N3O2/c22-16-7-6-15(12-17(16)23)27-20(28)18(24)19(21(27)29)26-10-8-25(9-11-26)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31807
PNG
(Apogossypol derivative, 8q)
Show SMILES CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1
Show InChI InChI=1S/C44H44N2O8/c1-5-25-7-11-27(12-8-25)15-17-45-43(53)37-29-19-23(3)35(39(49)31(29)21-33(47)41(37)51)36-24(4)20-30-32(40(36)50)22-34(48)42(52)38(30)44(54)46-18-16-28-13-9-26(6-2)10-14-28/h7-14,19-22,47-52H,5-6,15-18H2,1-4H3,(H,45,53)(H,46,54)
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n/an/a 1.30E+3n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313354
PNG
(6-((cyclopropylmethyl)(propyl)amino)-N-(6-methyl-1...)
Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1cc2cn[nH]c2cc1C
Show InChI InChI=1S/C20H24N6O/c1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM142750
PNG
(US8937193, 6b)
Show SMILES CC(C)Cc1c(O)c(O)cc2c1c(=O)c(C)c(-c1c(C)c(=O)c3c(CC(C)C)c(O)c(O)cc3c1=O)c2=O
Show InChI InChI=1S/C30H30O8/c1-11(2)7-15-23-17(9-19(31)27(15)35)29(37)21(13(5)25(23)33)22-14(6)26(34)24-16(8-12(3)4)28(36)20(32)10-18(24)30(22)38/h9-12,31-32,35-36H,7-8H2,1-6H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes)...


US Patent US8937193 (2015)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330248
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisobutyl-3,3'-dimeth...)
Show SMILES CC(C)C=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C30H30O8/c1-11(2)7-15-23-17(9-19(31)27(15)35)29(37)21(13(5)25(23)33)22-14(6)26(34)24-16(8-12(3)4)28(36)20(32)10-18(24)30(22)38/h7-12,31-38H,5-6H2,1-4H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 8000-11 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313365
PNG
((2R,3R,4S,5S,6R)-2-(3-(4-ethylbenzyl)-4-methylbenz...)
Show SMILES CCc1ccc(Cc2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1
Show InChI InChI=1S/C23H30O6/c1-3-15-6-8-16(9-7-15)10-18-11-17(5-4-14(18)2)13-28-23-22(27)21(26)20(25)19(12-24)29-23/h4-9,11,19-27H,3,10,12-13H2,1-2H3/t19-,20-,21+,22-,23-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313353
PNG
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)
Show SMILES Cc1cc2[nH]ncc2cc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1
Show InChI InChI=1S/C23H28N6O/c1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18/h9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39164
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(2-methyl-3-o...)
Show SMILES CC1N(CCNC1=O)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H12Cl3N3O3/c1-7-13(22)19-4-5-20(7)12-11(18)14(23)21(15(12)24)8-2-3-9(16)10(17)6-8/h2-3,6-7H,4-5H2,1H3,(H,19,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31804
PNG
(Apogossypol derivative, 8m)
Show SMILES Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O
Show InChI InChI=1S/C38H44N2O8/c1-19-13-23-25(15-27(41)35(45)31(23)37(47)39-17-21-9-5-3-6-10-21)33(43)29(19)30-20(2)14-24-26(34(30)44)16-28(42)36(46)32(24)38(48)40-18-22-11-7-4-8-12-22/h13-16,21-22,41-46H,3-12,17-18H2,1-2H3,(H,39,47)(H,40,48)
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n/an/a 2.00E+3n/an/an/an/a7.423



Burnham Institute for Medical Research



Assay Description
FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of i...


J Med Chem 52: 4511-23 (2009)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50313366
PNG
((2R,3S,4R,6R)-6-(3-(4-ethylbenzyl)-4-methylphenyl)...)
Show SMILES CCc1ccc(Cc2cc(ccc2C)[C@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)cc1
Show InChI InChI=1S/C22H28O4/c1-3-15-5-7-16(8-6-15)10-18-11-17(9-4-14(18)2)20-12-19(24)22(25)21(13-23)26-20/h4-9,11,19-25H,3,10,12-13H2,1-2H3/t19-,20-,21-,22+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM39144
PNG
(3-chloranyl-1-(3-chlorophenyl)-4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay


Bioorg Med Chem Lett 20: 6560-4 (2010)

More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330247
PNG
(6,6',7,7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)=c1c(O)c(O)cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=C(C)C)c4c(O)c3=C)c(=C)c(O)c12
Show InChI InChI=1S/C28H26O8/c1-9(2)17-21-13(7-15(29)27(17)35)25(33)19(11(5)23(21)31)20-12(6)24(32)22-14(26(20)34)8-16(30)28(36)18(22)10(3)4/h7-8,29-36H,5-6H2,1-4H3
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n/an/a 2.17E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay


J Med Chem 53: 8000-11 (2010)

More data for this
Ligand-Target Pair
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