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Compile Data Set for Download or QSAR

Found 360 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM21400
PNG
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged human BCL2A1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM21447
PNG
(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
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
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n/an/an/a>1.00E+3n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged human BCL2A1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50210070
PNG
(CHEMBL3883565)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C120H186N34O31/c1-16-63(7)93-111(181)134-61-90(161)139-85(59-92(164)165)110(180)154-119(14,114(184)150-83(55-70-32-25-24-26-33-70)107(177)148-84(58-88(122)159)104(174)136-67(11)99(169)145-82(57-72-39-43-74(157)44-40-72)106(176)147-81(56-71-37-41-73(156)42-38-71)103(173)135-66(10)97(167)141-76(35-30-52-131-117(126)127)100(170)140-75(96(123)166)34-29-51-130-116(124)125)49-27-22-20-21-23-28-50-120(15,115(185)152-93)153-109(179)77(36-31-53-132-118(128)129)143-105(175)80(54-62(5)6)146-102(172)79(46-48-91(162)163)144-101(171)78(45-47-87(121)158)142-98(168)68(12)137-112(182)95(65(9)18-3)151-108(178)86(60-133-89(160)19-4)149-113(183)94(64(8)17-2)138-69(13)155/h19-21,24-26,32-33,37-44,62-68,75-86,93-95,156-157H,4,16-18,22-23,27-31,34-36,45-61H2,1-3,5-15H3,(H2,121,158)(H2,122,159)(H2,123,166)(H,133,160)(H,134,181)(H,135,173)(H,136,174)(H,137,182)(H,138,155)(H,139,161)(H,140,170)(H,141,167)(H,142,168)(H,143,175)(H,144,171)(H,145,169)(H,146,172)(H,147,176)(H,148,177)(H,149,183)(H,150,184)(H,151,178)(H,152,185)(H,153,179)(H,154,180)(H,162,163)(H,164,165)(H4,124,125,130)(H4,126,127,131)(H4,128,129,132)/t63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-,119-,120-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c...


ACS Med Chem Lett 8: 22-26 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00395
BindingDB Entry DOI: 10.7270/Q2NS0WWV
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50210069
PNG
(CHEMBL3884841)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C125H188N34O30/c1-15-66(6)98-116(185)139-64-95(165)144-92(62-97(168)169)115(184)159-124(13,119(188)155-89(57-73-32-23-22-24-33-73)112(181)153-91(61-94(127)164)109(178)141-70(10)104(173)150-88(59-75-41-45-78(162)46-42-75)111(180)152-87(58-74-39-43-77(161)44-40-74)108(177)140-69(9)102(171)146-82(37-30-54-136-122(131)132)105(174)145-81(101(128)170)36-29-53-135-121(129)130)51-27-20-18-19-21-28-52-125(14,120(189)157-98)158-114(183)83(38-31-55-137-123(133)134)148-110(179)86(56-65(4)5)151-107(176)85(48-50-96(166)167)149-106(175)84(47-49-93(126)163)147-103(172)71(11)142-117(186)100(68(8)17-3)156-113(182)90(60-76-63-138-80-35-26-25-34-79(76)80)154-118(187)99(67(7)16-2)143-72(12)160/h18-19,22-26,32-35,39-46,63,65-71,81-92,98-100,138,161-162H,15-17,20-21,27-31,36-38,47-62,64H2,1-14H3,(H2,126,163)(H2,127,164)(H2,128,170)(H,139,185)(H,140,177)(H,141,178)(H,142,186)(H,143,160)(H,144,165)(H,145,174)(H,146,171)(H,147,172)(H,148,179)(H,149,175)(H,150,173)(H,151,176)(H,152,180)(H,153,181)(H,154,187)(H,155,188)(H,156,182)(H,157,189)(H,158,183)(H,159,184)(H,166,167)(H,168,169)(H4,129,130,135)(H4,131,132,136)(H4,133,134,137)/t66-,67-,68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-,99-,100-,124-,125-/m0/s1
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32n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c...


ACS Med Chem Lett 8: 22-26 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00395
BindingDB Entry DOI: 10.7270/Q2NS0WWV
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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430n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
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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460n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
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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470n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
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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470n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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 BCL2-A1 (unknown origin) after 1 hr by TR-FRET assay


J Med Chem 58: 2180-94 (2015)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
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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870n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
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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930n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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 A1 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
Bcl-2-related protein A1


(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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1.11E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
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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PubMed
1.47E+3n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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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2.34E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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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3.18E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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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3.36E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330255
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-bis(3-ph...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCCc2ccccc2)c1O
Show InChI InChI=1S/C40H34O8/c1-21-31(39(47)27-19-29(41)37(45)25(33(27)35(21)43)17-9-15-23-11-5-3-6-12-23)32-22(2)36(44)34-26(18-10-16-24-13-7-4-8-14-24)38(46)30(42)20-28(34)40(32)48/h3-8,11-14,17-20,41-48H,1-2,9-10,15-16H2
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3.53E+3n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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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5.33E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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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6.14E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330254
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-diphenet...)
Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CCc5ccccc5)c4c(O)c3=C)c(=C)c(O)c2c(=CCc2ccccc2)c1O
Show InChI InChI=1S/C38H30O8/c1-19-29(37(45)25-17-27(39)35(43)23(31(25)33(19)41)15-13-21-9-5-3-6-10-21)30-20(2)34(42)32-24(16-14-22-11-7-4-8-12-22)36(44)28(40)18-26(32)38(30)46/h3-12,15-18,39-46H,1-2,13-14H2
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6.47E+3n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM50330249
PNG
(6,6',7,7'-Tetrahydroxy-3,3'-dimethyl-5,5'-bis(4-me...)
Show SMILES Cc1ccc(CC=c2c(O)c(O)cc3c(O)c(-c4c(O)c5cc(O)c(O)c(=CCc6ccc(C)cc6)c5c(O)c4=C)c(=C)c(O)c23)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)13-15-25-33-27(17-29(41)37(25)45)39(47)31(21(3)35(33)43)32-22(4)36(44)34-26(16-14-24-11-7-20(2)8-12-24)38(46)30(42)18-28(34)40(32)48/h5-12,15-18,41-48H,3-4,13-14H2,1-2H3
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9.33E+3n/an/an/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)


Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(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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1.73E+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 A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluoresce...


J Med Chem 57: 4111-33 (2014)


Article DOI: 10.1021/jm500010b
BindingDB Entry DOI: 10.7270/Q20003NC
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31802
PNG
(Apogossypol | US9115061, Apogossypol)
Show SMILES CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O
Show InChI InChI=1S/C28H30O6/c1-11(2)21-15-7-13(5)23(25(31)17(15)9-19(29)27(21)33)24-14(6)8-16-18(26(24)32)10-20(30)28(34)22(16)12(3)4/h7-12,29-34H,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM31803
PNG
(Apogossypol derivative, 12e)
Show SMILES Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O
Show InChI InChI=1S/C38H34O6/c1-21-17-27-25(15-13-23-9-5-3-6-10-23)35(41)31(39)19-29(27)37(43)33(21)34-22(2)18-28-26(16-14-24-11-7-4-8-12-24)36(42)32(40)20-30(28)38(34)44/h3-12,17-20,39-44H,13-16H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
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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Article
PubMed
n/an/a 670n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm900472s
BindingDB Entry DOI: 10.7270/Q247486S
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33037
PNG
(2-Amino-4-benzo[1,3]dioxol-5-yl-6-(5-methyl-furan-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc3OCOc3c2)c(C#N)c(N)n1
Show InChI InChI=1S/C18H13N3O3/c1-10-2-4-15(24-10)14-7-12(13(8-19)18(20)21-14)11-3-5-16-17(6-11)23-9-22-16/h2-7H,9H2,1H3,(H2,20,21)
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n/an/an/an/a 1.88E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33038
PNG
(Acetic acid 4-(2,3-dihydro-1H-perimidin-2-yl)-2-me...)
Show SMILES COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C20H18N2O3/c1-12(23)25-17-10-9-14(11-18(17)24-2)20-21-15-7-3-5-13-6-4-8-16(22-20)19(13)15/h3-11,20-22H,1-2H3
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n/an/an/an/a 1.11E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM30725
PNG
(MLS000079925 | N-[3-cyano-1-(4-methoxyphenyl)-2-py...)
Show SMILES COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H15N5O3/c1-30-15-10-8-14(9-11-15)28-21(27-23(29)19-7-4-12-31-19)16(13-24)20-22(28)26-18-6-3-2-5-17(18)25-20/h2-12H,1H3,(H,27,29)
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n/an/an/an/a 1.61E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33039
PNG
(2-amino-4-(4-chlorophenyl)-6-(5-methyl-2-furanyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C17H12ClN3O/c1-10-2-7-16(22-10)15-8-13(14(9-19)17(20)21-15)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
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n/an/an/an/a 2.65E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM30741
PNG
(2-amino-6-(4-chlorophenyl)-4-(5-methyl-3-furanyl)-...)
Show SMILES Cc1cc(co1)-c1cc(nc(N)c1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN3O/c1-10-6-12(9-22-10)14-7-16(21-17(20)15(14)8-19)11-2-4-13(18)5-3-11/h2-7,9H,1H3,(H2,20,21)
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n/an/an/an/a 3.86E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33040
PNG
(MLS000039339 | SMR000037955 | cid_660641)
Show SMILES COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
Show InChI InChI=1S/C21H19N3O4S2/c1-21(2)7-11-12(8-28-21)16(13-5-4-6-27-13)24-19-15(11)17-18(30-19)20(23-10-22-17)29-9-14(25)26-3/h4-6,10H,7-9H2,1-3H3
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n/an/an/an/a 1.24E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33041
PNG
(2-amino-6-(5-methyl-2-furanyl)-4-(4-methylphenyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
Show InChI InChI=1S/C18H15N3O/c1-11-3-6-13(7-4-11)14-9-16(17-8-5-12(2)22-17)21-18(20)15(14)10-19/h3-9H,1-2H3,(H2,20,21)
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n/an/an/an/a 2.25E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33042
PNG
(MLS000040389 | N,N-diethyl-4-[3-(2-methoxyphenyl)-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Show InChI InChI=1S/C20H21N5OS/c1-4-24(5-2)15-12-10-14(11-13-15)19-23-25-18(21-22-20(25)27-19)16-8-6-7-9-17(16)26-3/h6-13H,4-5H2,1-3H3
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n/an/an/an/a 4.08E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM32262
PNG
(5-benzyl-8-methyl-3-(methylthio)-[1,2,4]triazin[5,...)
Show SMILES CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C18H16N4S/c1-12-8-9-15-14(10-12)16-17(19-18(23-2)21-20-16)22(15)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
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n/an/an/an/a 2.27E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33043
PNG
(2-amino-6-(4-fluorophenyl)-4-(5-methyl-2-furanyl)-...)
Show SMILES Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
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n/an/an/an/a 2.44E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33044
PNG
(MLS000082988 | N,N-diethyl-4-[3-(1,4,5,6-tetrahydr...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1n[nH]c2CCCc12
Show InChI InChI=1S/C19H21N7S/c1-3-25(4-2)13-10-8-12(9-11-13)18-24-26-17(22-23-19(26)27-18)16-14-6-5-7-15(14)20-21-16/h8-11H,3-7H2,1-2H3,(H,20,21)
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n/an/an/an/a 2.86E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33045
PNG
(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophe...)
Show SMILES NC(=O)c1c(N)sc2CCCCCc12
Show InChI InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)
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n/an/an/an/a 3.02E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33046
PNG
(2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-c...)
Show SMILES Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1
Show InChI InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+
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n/an/an/an/a 4.19E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33047
PNG
(2-[(E)-1-(2-furanyl)prop-1-en-2-yl]-2,3-dihydro-1H...)
Show SMILES C\C(=C/c1ccco1)C1Nc2cccc3cccc(N1)c23
Show InChI InChI=1S/C18H16N2O/c1-12(11-14-7-4-10-21-14)18-19-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h2-11,18-20H,1H3/b12-11+
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n/an/an/an/a 1.58E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM32266
PNG
(2,3-bis(2-furyl)-N-homoveratryl-quinoxaline-6-carb...)
Show SMILES COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-32-21-10-7-17(15-24(21)33-2)11-12-28-27(31)18-8-9-19-20(16-18)30-26(23-6-4-14-35-23)25(29-19)22-5-3-13-34-22/h3-10,13-16H,11-12H2,1-2H3,(H,28,31)
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n/an/an/an/a 4.30E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33048
PNG
((5Z)-5-{[4-(dimethylamino)phenyl]imino}-1-(3-hydro...)
Show SMILES CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O
Show InChI InChI=1S/C18H20N4O3/c1-12-15(11-19)17(24)22(9-4-10-23)18(25)16(12)20-13-5-7-14(8-6-13)21(2)3/h5-8,23H,4,9-10H2,1-3H3/b20-16+
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n/an/an/an/a 890n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33049
PNG
((4-chlorodithiazol-5-ylidene)-(3,5-dimethoxyphenyl...)
Show SMILES COc1cc(OC)cc(c1)\N=c1\ssnc1Cl
Show InChI InChI=1S/C10H9ClN2O2S2/c1-14-7-3-6(4-8(5-7)15-2)12-10-9(11)13-17-16-10/h3-5H,1-2H3/b12-10+
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n/an/an/an/a 1.50E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33050
PNG
(2,3-bis(2-furanyl)-N-(2-pyridinylmethyl)-6-quinoxa...)
Show SMILES O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C23H16N4O3/c28-23(25-14-16-5-1-2-10-24-16)15-8-9-17-18(13-15)27-22(20-7-4-12-30-20)21(26-17)19-6-3-11-29-19/h1-13H,14H2,(H,25,28)
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n/an/an/an/a 3.66E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Homo sapiens (human))
BDBM33051
PNG
((4-chlorodithiazol-5-ylidene)-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
Show InChI InChI=1S/C11H11ClN2O3S2/c1-15-7-4-6(5-8(16-2)9(7)17-3)13-11-10(12)14-19-18-11/h4-5H,1-3H3/b13-11+
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n/an/an/an/a 3.63E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
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