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Compile Data Set for Download or QSAR

Found 135 hits of kd data for polymerid = 3744,3987   
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-like protein 1


(Homo sapiens (Human))
BDBM50480872
PNG
(CHEMBL582896)
Show SMILES OC[C@@H]1C=C[C@@H](NCc2ccccc2)[C@@H](O)[C@H]1N(Cc1ccccc1)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 |r,c:3|
Show InChI InChI=1S/C35H37N3O3/c39-25-29-21-22-31(36-23-26-13-5-1-6-14-26)34(40)32(29)38(24-27-15-7-2-8-16-27)33(28-17-9-3-10-18-28)35(41)37-30-19-11-4-12-20-30/h1-22,29,31-34,36,39-40H,23-25H2,(H,37,41)/t29-,31+,32-,33+,34+/m0/s1
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n/an/an/a 0.0314n/an/an/an/an/a



Universita degli studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-XL BH3 domain


J Med Chem 52: 7856-67 (2009)


Article DOI: 10.1021/jm9010687
BindingDB Entry DOI: 10.7270/Q23F4SGB
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(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 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/an/a 0.130n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50436625
PNG
(CHEMBL2398169)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#16]-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#7]-[#6@H]-1-2)-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C149H242N48O46S/c1-14-72(8)112(136(235)170-68-105(204)173-98(67-111(215)216)132(231)178-87(46-51-107(207)208)123(222)187-94(63-78-29-18-17-19-30-78)130(229)188-96(65-103(151)202)131(230)179-88(47-52-108(209)210)127(226)194-116(77(13)199)140(239)189-95(64-79-40-42-80(200)43-41-79)134(233)195-115(76(12)198)139(238)182-82(32-23-55-165-144(154)155)120(219)184-91(142(241)242)36-27-59-169-148(162)163)191-124(223)83(33-24-56-166-145(156)157)175-119(218)81(31-22-54-164-143(152)153)176-128(227)92(61-70(4)5)185-122(221)86(45-50-106(205)206)177-121(220)85(44-49-102(150)201)174-118(217)75(11)171-137(236)113(73(9)15-2)192-125(224)84(34-25-57-167-146(158)159)181-138(237)114(74(10)16-3)193-126(225)89(48-53-109(211)212)180-135(234)100-37-28-60-197(100)141(240)90(35-26-58-168-147(160)161)183-129(228)93(62-71(6)7)186-133(232)97(66-110(213)214)172-104(203)39-21-20-38-101-117-99(69-244-101)190-149(243)196-117/h17-19,29-30,40-43,70-77,81-101,112-117,198-200H,14-16,20-28,31-39,44-69H2,1-13H3,(H2,150,201)(H2,151,202)(H,170,235)(H,171,236)(H,172,203)(H,173,204)(H,174,217)(H,175,218)(H,176,227)(H,177,220)(H,178,231)(H,179,230)(H,180,234)(H,181,237)(H,182,238)(H,183,228)(H,184,219)(H,185,221)(H,186,232)(H,187,222)(H,188,229)(H,189,239)(H,191,223)(H,192,224)(H,193,225)(H,194,226)(H,195,233)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,241,242)(H4,152,153,164)(H4,154,155,165)(H4,156,157,166)(H4,158,159,167)(H4,160,161,168)(H4,162,163,169)(H2,190,196,243)/t72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,112-,113-,114-,115-,116-,117-/m0/s1
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n/an/an/a 0.140n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(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 |r|
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
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n/an/an/a 0.370n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-Xl


J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139041
PNG
(US8883784, 2)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1
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n/an/an/a 0.400n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal GST-tagged BCL-XL (unknown origin) assessed as equilibrium dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00162
BindingDB Entry DOI: 10.7270/Q2R78JW5
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139040
PNG
(US8883784, 1)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1
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n/an/an/a 0.5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal GST-tagged BCL-XL (unknown origin) assessed as equilibrium dissociation constant by SPR analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00162
BindingDB Entry DOI: 10.7270/Q2R78JW5
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM109236
PNG
(WEHI-539)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1 |w:26.27|
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)
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n/an/a 7.10 1.40n/an/an/a7.4n/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
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n/an/an/a 2.10n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged LWAAQRYGRELRRMSDEFEGSFKGL from human BCL-XL expressed in Escherichia coli measured after 2 hrs by AlphaScreen assay


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50586598
PNG
(CHEMBL5077514)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:34|
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n/an/an/a 2.60n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged LWAAQRYGRELRRMSDEFEGSFKGL from human BCL-XL expressed in Escherichia coli measured after 2 hrs by AlphaScreen assay


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50586597
PNG
(CHEMBL5073297)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:34|
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n/an/an/a 2.80n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged LWAAQRYGRELRRMSDEFEGSFKGL from human BCL-XL expressed in Escherichia coli measured after 2 hrs by AlphaScreen assay


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50172738
PNG
(CHEMBL441321 | GQVGRQLAIIGDDINR)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C72H125N25O24/c1-12-34(8)55(67(117)84-31-51(103)88-44(27-52(104)105)64(114)92-45(28-53(106)107)65(115)96-56(35(9)13-2)68(118)93-43(26-48(76)100)63(113)90-41(70(120)121)18-16-24-82-72(79)80)97-69(119)57(36(10)14-3)95-58(108)37(11)85-62(112)42(25-32(4)5)91-60(110)40(20-22-47(75)99)89-59(109)38(17-15-23-81-71(77)78)87-50(102)30-83-66(116)54(33(6)7)94-61(111)39(19-21-46(74)98)86-49(101)29-73/h32-45,54-57H,12-31,73H2,1-11H3,(H2,74,98)(H2,75,99)(H2,76,100)(H,83,116)(H,84,117)(H,85,112)(H,86,101)(H,87,102)(H,88,103)(H,89,109)(H,90,113)(H,91,110)(H,92,114)(H,93,118)(H,94,111)(H,95,108)(H,96,115)(H,97,119)(H,104,105)(H,106,107)(H,120,121)(H4,77,78,81)(H4,79,80,82)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-,57-/m0/s1
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n/an/an/a 3.5n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged human wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 35 nM Bodipy-labelled compound after...


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-like protein 1


(Homo sapiens (Human))
BDBM109232
PNG
(6-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetr...)
Show SMILES OC(=O)c1cccc(n1)-c1ccc2CCCC(=NNc3nc4ccccc4s3)c2c1 |w:17.18|
Show InChI InChI=1S/C23H18N4O2S/c28-22(29)20-9-4-7-17(24-20)15-12-11-14-5-3-8-18(16(14)13-15)26-27-23-25-19-6-1-2-10-21(19)30-23/h1-2,4,6-7,9-13H,3,5,8H2,(H,25,27)(H,28,29)
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n/an/an/a 4.10n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50339777
PNG
((R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)pipera...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ncnc2cc(ccc12)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
Show InChI InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1
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n/an/an/a 4.20n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-Xl


J Med Chem 54: 1914-26 (2011)


Article DOI: 10.1021/jm101596e
BindingDB Entry DOI: 10.7270/Q27P8ZP8
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50020938
PNG
(CHEMBL3287301)
Show SMILES OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C30H26N4O4S2/c35-27(33-29-31-23-12-4-5-13-24(23)39-29)21-11-6-8-19-15-16-34(18-22(19)21)30-32-26(28(36)37)25(40-30)14-7-17-38-20-9-2-1-3-10-20/h1-6,8-13H,7,14-18H2,(H,36,37)(H,31,33,35)
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n/an/an/a<5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Bcl-Xl (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50586596
PNG
(CHEMBL5087367)
Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCC(=O)N1CCN(CC[C@H](CSc2ccccc2)Nc2cc(ccc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCN(CC3=C(CCC(C)(C)C3)c3ccc(Cl)cc3)CC2)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,t:74|
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n/an/an/a 7.60n/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of biotin-tagged LWAAQRYGRELRRMSDEFEGSFKGL from human BCL-XL expressed in Escherichia coli measured after 2 hrs by AlphaScreen assay


J Med Chem 47: 5809-15 (2004)


Article DOI: 10.1021/acs.jmedchem.1c00517
BindingDB Entry DOI: 10.7270/Q2NK3JX7
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50020930
PNG
(CHEMBL3287293)
Show SMILES OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C21H16N4O3S2/c26-18(24-20-22-15-6-1-2-7-17(15)30-20)13-5-3-4-12-8-9-25(10-14(12)13)21-23-16(11-29-21)19(27)28/h1-7,11H,8-10H2,(H,27,28)(H,22,24,26)
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n/an/an/a 10n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Bcl-Xl (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM218795
PNG
(130E7 | Ac-λIAQELRRIGDEFNAYYARR-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)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 |r|
Show InChI InChI=1S/C110H171ClN36O32/c1-11-54(5)86(146-97(170)68(25-19-43-126-110(121)122)137-93(166)67(24-18-42-125-109(119)120)138-100(173)72(44-53(3)4)142-95(168)70(35-38-83(155)156)139-94(167)69(34-37-79(112)151)136-90(163)58(9)131-106(179)87(55(6)12-2)147-104(177)78(132-59(10)148)51-127-81(153)50-111)105(178)128-52-82(154)133-77(49-85(159)160)103(176)140-71(36-39-84(157)158)96(169)143-75(45-60-20-14-13-15-21-60)102(175)145-76(48-80(113)152)99(172)130-57(8)91(164)141-74(47-62-28-32-64(150)33-29-62)101(174)144-73(46-61-26-30-63(149)31-27-61)98(171)129-56(7)89(162)135-66(23-17-41-124-108(117)118)92(165)134-65(88(114)161)22-16-40-123-107(115)116/h13-15,20-21,26-33,53-58,65-78,86-87,149-150H,11-12,16-19,22-25,34-52H2,1-10H3,(H2,112,151)(H2,113,152)(H2,114,161)(H,127,153)(H,128,178)(H,129,171)(H,130,172)(H,131,179)(H,132,148)(H,133,154)(H,134,165)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,167)(H,140,176)(H,141,164)(H,142,168)(H,143,169)(H,144,174)(H,145,175)(H,146,170)(H,147,177)(H,155,156)(H,157,158)(H,159,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t54-,55-,56-,57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,86-,87-/m0/s1
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n/an/an/a 25.5n/an/an/a7.4298.15



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50020929
PNG
(CHEMBL3287292)
Show SMILES OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C23H18N4O3S/c28-21(26-23-25-17-7-1-2-9-19(17)31-23)15-6-3-5-14-11-12-27(13-16(14)15)20-10-4-8-18(24-20)22(29)30/h1-10H,11-13H2,(H,29,30)(H,25,26,28)
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n/an/an/a 38n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged Bcl-Xl (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM174845
PNG
(US9115061, XII)
Show SMILES Cc1ccc(CC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)Cc4ccc(C)cc4)c(O)c(O)cc3c2O)cc1 |(10.67,-13.86,;10.67,-12.32,;12,-11.55,;12,-10.01,;10.67,-9.24,;10.67,-7.7,;9.34,-6.93,;8,-7.7,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;6.67,-5.39,;8,-4.62,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-2.67,6.16,;-1.33,6.93,;-1.33,8.47,;,6.16,;,4.62,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;9.34,-10.01,;9.34,-11.55,)|
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)15-29(41)35-25-13-21(3)33(37(45)27(25)17-31(43)39(35)47)34-22(4)14-26-28(38(34)46)18-32(44)40(48)36(26)30(42)16-24-11-7-20(2)8-12-24/h5-14,17-18,43-48H,15-16H2,1-4H3
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n/an/an/a 40n/an/an/a7.4n/a



BURNHAM INSTITUTE FOR MEDICAL RESEARCH

US Patent


Assay Description
Titrations were performed using a VP-ITC or ITC200 calorimeter from Microcal (Northampton, Mass.). BCL-XL was used at concentrations between 25 and 1...


US Patent US9115061 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15PX
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552927
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:48|
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552926
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552931
PNG
((R)-4-(4-((5,5-dimethyl-2-(3-methylbicyclo[1.1.1]p...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552930
PNG
((R)-4-(4-((5,5-Dimethyl-2-(3-methylbicyclo[1.1.1]p...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552913
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)C1 |t:48|
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50270877
PNG
((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5|
Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552913
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C)(C3)C4)CC2)C1 |t:48|
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n/an/an/a 55n/an/an/an/an/a


TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552926
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552927
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)C34CC(C3)(C4)C(F)F)CC2)CC1 |t:48|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552930
PNG
((R)-4-(4-((5,5-Dimethyl-2-(3-methylbicyclo[1.1.1]p...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552931
PNG
((R)-4-(4-((5,5-dimethyl-2-(3-methylbicyclo[1.1.1]p...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)CC(C)(C)CC1 |r,c:8|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50436648
PNG
(CHEMBL2398286)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O |w:3.3|
Show InChI InChI=1S/C21H16N4O2S/c1-13(24-25-21-23-17-8-2-3-11-19(17)28-21)14-6-4-7-15(12-14)16-9-5-10-18(22-16)20(26)27/h2-13H,1H3,(H,26,27)
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n/an/an/a 61n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as direct binding constant at steady state by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50436648
PNG
(CHEMBL2398286)
Show SMILES CC(N=Nc1nc2ccccc2s1)c1cccc(c1)-c1cccc(n1)C(O)=O |w:3.3|
Show InChI InChI=1S/C21H16N4O2S/c1-13(24-25-21-23-17-8-2-3-11-19(17)28-21)14-6-4-7-15(12-14)16-9-5-10-18(22-16)20(26)27/h2-13H,1H3,(H,26,27)
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n/an/an/a 79n/an/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay


J Med Chem 56: 5514-40 (2014)


Article DOI: 10.1021/jm400556w
BindingDB Entry DOI: 10.7270/Q2X92CQT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50566652
PNG
(CHEMBL4871228)
Show SMILES [H][C@]12CS[C@@H](CCCCCC(=O)NC(=O)C(CNC(=O)C(NC3=NS(=O)(=O)c4ccccc34)C(C)C)NC(=O)C3(CC3)NC(=O)COc3ccccc3-c3n[nH]c4ccc(Cl)cc34)[C@@]1([H])NC(=O)N2 |r,t:22|
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n/an/an/a 96n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Bcl-xl (unknown origin) measured by surface plasmon resonance based pull down assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116282
BindingDB Entry DOI: 10.7270/Q2T157DK
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552919
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:57|
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TBA

Assay Description
Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown in parall...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29K4G5T
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552928
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC(C)C12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:10|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552925
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:58|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552924
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(3.82,-12.02,;3.05,-10.69,;4.59,-10.69,;3.05,-9.15,;1.72,-8.38,;.39,-9.15,;-.95,-8.38,;-.95,-6.84,;-2.28,-6.07,;-2.28,-4.53,;-.95,-3.76,;.39,-4.53,;.39,-6.07,;-.95,-2.22,;.39,-1.45,;.39,.09,;-.95,.86,;-.95,2.4,;-2.28,3.17,;.39,3.17,;1.72,2.4,;.84,.88,;3.25,1.52,;2.49,3.74,;4.03,3.74,;4.8,5.07,;4.03,6.4,;4.8,7.74,;6.34,7.74,;7.11,9.07,;6.34,10.4,;7.11,11.74,;8.65,11.74,;9.98,12.51,;8.65,13.28,;9.42,10.4,;8.65,9.07,;2.46,6.45,;1.72,5.07,;1.69,7.79,;2.46,9.12,;.15,7.79,;-2.28,.09,;-3.61,.86,;-4.95,.09,;-4.95,-1.45,;-6.28,-2.22,;-7.61,-1.45,;-9.08,-1.92,;-9.98,-.68,;-9.08,.57,;-7.61,.09,;-6.28,.86,;-2.28,-1.45,;.39,-10.69,;1.72,-11.46,;-.95,-11.46,;-2.43,-11.06,;-2.99,-12.57,;-1.19,-13.1,;-1.52,-12.46,;-4.35,-13.31,;-5.66,-12.5,;-4.39,-14.84,)|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552923
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)F |c:57|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552922
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |r,wU:29.29,32.33,wD:32.34,c:59,(3.82,-12.02,;3.05,-10.69,;4.59,-10.69,;3.05,-9.15,;1.72,-8.38,;.39,-9.15,;-.95,-8.38,;-.95,-6.84,;-2.28,-6.07,;-2.28,-4.53,;-.95,-3.76,;.39,-4.53,;.39,-6.07,;-.95,-2.22,;.39,-1.45,;.39,.09,;-.95,.86,;-.95,2.4,;-2.28,3.17,;.39,3.17,;1.72,2.4,;.84,.88,;3.25,1.52,;2.49,3.74,;4.03,3.74,;4.8,5.07,;4.03,6.4,;4.8,7.74,;6.34,7.74,;7.11,9.07,;6.34,10.41,;7.11,11.74,;8.65,11.74,;9.98,12.51,;8.65,13.28,;9.42,10.41,;8.65,9.07,;2.46,6.45,;1.72,5.07,;1.69,7.79,;2.46,9.12,;.15,7.79,;-2.28,.09,;-3.61,.86,;-4.95,.09,;-4.95,-1.45,;-6.28,-2.22,;-7.61,-1.45,;-9.08,-1.92,;-9.98,-.68,;-9.08,.57,;-7.61,.09,;-6.28,.86,;-2.28,-1.45,;.39,-10.69,;1.72,-11.46,;-.95,-11.46,;-2.43,-11.06,;-2.84,-12.52,;-1.19,-13.1,;-1.48,-12.51,;-4.19,-13.28,;-5.51,-12.49,;-4.2,-14.82,;-5.53,-14.03,)|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552921
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:58|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552920
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:58|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552919
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4,4-...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)C12CC(C1)(C2)C(F)(F)F |c:57|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552918
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:32.34,35.38,wD:35.39,c:9,(-5.73,-12.67,;-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552917
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552916
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552915
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(3-e...)
Show SMILES CCC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |c:9|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM552914
PNG
(2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((4,4-di...)
Show SMILES CC12CC(C1)(C2)C1=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@H]4CC[C@](C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)CCC(C)(C)C1 |r,wU:31.33,34.37,wD:34.38,c:8,(-4.3,-13.49,;-2.96,-12.73,;-2.56,-11.24,;-1.08,-11.64,;-1.32,-13.28,;-1.72,-12.77,;.26,-10.87,;.26,-9.33,;-1.08,-8.56,;-1.08,-7.02,;-2.41,-6.25,;-2.41,-4.71,;-1.08,-3.94,;.26,-4.71,;.26,-6.25,;-1.08,-2.4,;.26,-1.63,;.26,-.09,;-1.08,.68,;-1.08,2.22,;-2.41,2.99,;.26,2.99,;1.59,2.22,;.82,.89,;2.92,1.45,;2.36,3.56,;3.9,3.56,;4.67,4.89,;3.9,6.22,;4.67,7.56,;6.21,7.56,;7.04,8.99,;6.21,10.42,;7.04,11.84,;8.69,11.84,;10.11,12.67,;8.69,13.49,;9.51,10.42,;8.69,8.99,;2.33,6.27,;1.59,4.89,;1.56,7.61,;2.33,8.94,;.02,7.61,;-2.41,-.09,;-3.74,.68,;-5.08,-.09,;-5.08,-1.63,;-6.41,-2.4,;-7.74,-1.63,;-9.21,-2.1,;-10.11,-.86,;-9.21,.39,;-7.74,-.09,;-6.41,.68,;-2.41,-1.63,;1.59,-8.56,;2.92,-9.33,;2.92,-10.87,;4.41,-10.47,;3.32,-12.35,;1.59,-11.64,)|
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TBA

Assay Description
Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan™ platform: T7 phage strains displaying BCL2 proteins were grown ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HD7ZW9
More data for this
Ligand-Target Pair
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