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Compile Data Set for Download or QSAR

Found 1488 hits of ic50 for UniProtKB: A0A024R2B3   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156377
PNG
(US9018381, 2 | US9248140, 2)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C43H46ClN5O6S2/c1-47(2)25-24-34(29-56-36-8-4-3-5-9-36)45-40-21-20-37(28-41(40)49(52)53)57(54,55)46-43(51)32-14-18-35(19-15-32)48-26-22-31(23-27-48)42(50)39-11-7-6-10-38(39)30-12-16-33(44)17-13-30/h3-21,28,31,34,42,45,50H,22-27,29H2,1-2H3,(H,46,51)/t34-,42-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156378
PNG
(US9018381, 3 | US9248140, 3)
Show SMILES CN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1
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n/an/a<0.300n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156398
PNG
(US9018381, 21)
Show SMILES CCN(CC)C[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42-,49-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156397
PNG
(US9018381, 20)
Show SMILES CCN(CC)C[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-67-31-30-60(42)29-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)59-27-24-37(25-28-59)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42+,49-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156403
PNG
(US9018381, 26 | US9248140, 26)
Show SMILES CCN(CC)CC1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C51H59ClF3N5O7S3/c1-3-58(4-2)33-42-34-59(30-31-67-42)27-26-40(35-68-43-10-6-5-7-11-43)56-47-23-22-44(32-48(47)69(63,64)51(53,54)55)70(65,66)57-50(62)38-16-20-41(21-17-38)60-28-24-37(25-29-60)49(61)46-13-9-8-12-45(46)36-14-18-39(52)19-15-36/h5-23,32,37,40,42,49,56,61H,3-4,24-31,33-35H2,1-2H3,(H,57,62)/t40-,42?,49-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156402
PNG
(US9018381, 25 | US9248140, 25)
Show SMILES OC[C@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156401
PNG
(US9018381, 24 | US9248140, 24)
Show SMILES OC[C@@H]1COCCN1CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-23-54(24-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-25-55-26-27-63-30-38(55)29-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38-,45-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156380
PNG
(US9018381, 4 | US9248140, 4)
Show SMILES CCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClF3N4O7S3/c1-2-53(28-29-55)25-24-36(31-62-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)63(58,59)46(48,49)50)64(60,61)52-45(57)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(56)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55-56H,2,22-29,31H2,1H3,(H,52,57)/t36-,44-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156399
PNG
(US9018381, 22 | US9248140, 22)
Show SMILES OC[C@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38-,45-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388989
PNG
(CHEMBL2063892)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C54H65ClN10O5S2/c1-59(2)27-24-44(39-71-47-12-6-5-7-13-47)57-50-23-22-48(37-51(50)65(67)68)72(69,70)58-43-18-20-45(21-19-43)63-32-34-64(35-33-63)46-11-8-10-41(36-46)52-49(40-14-16-42(55)17-15-40)38-61(4)53(52)54(66)56-25-9-26-62-30-28-60(3)29-31-62/h5-8,10-23,36-38,44,57-58H,9,24-35,39H2,1-4H3,(H,56,66)/t44-/m1/s1
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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156387
PNG
(US9018381, 10 | US9248140, 10)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCN(CCOP(O)(O)=O)CC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H54ClF3N5O10PS3/c49-37-14-10-34(11-15-37)42-8-4-5-9-43(42)46(58)35-20-24-57(25-21-35)39-16-12-36(13-17-39)47(59)54-71(65,66)41-18-19-44(45(32-41)70(63,64)48(50,51)52)53-38(33-69-40-6-2-1-3-7-40)22-23-55-26-28-56(29-27-55)30-31-67-68(60,61)62/h1-19,32,35,38,46,53,58H,20-31,33H2,(H,54,59)(H2,60,61,62)/t38-,46-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361573
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C45H48ClN7O8S/c46-34-3-1-31(2-4-34)39-24-45(28-60-29-45)13-9-33(39)27-51-15-17-52(18-16-51)35-5-7-38(42(22-35)61-36-21-32-10-14-47-43(32)49-26-36)44(54)50-62(57,58)37-6-8-40(41(23-37)53(55)56)48-25-30-11-19-59-20-12-30/h1-8,10,14,21-23,26,30,48H,9,11-13,15-20,24-25,27-29H2,(H,47,49)(H,50,54)
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n/an/a 0.760n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156393
PNG
(US9018381, 16 | US9248140, 16)
Show SMILES O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H48ClN5O7S2/c46-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(52)33-20-24-50(25-21-33)37-16-12-34(13-17-37)45(53)48-60(56,57)39-18-19-42(43(30-39)51(54)55)47-36(22-23-49-26-28-58-29-27-49)31-59-38-6-2-1-3-7-38/h1-19,30,33,36,44,47,52H,20-29,31H2,(H,48,53)/t36-,44-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156382
PNG
(US9018381, 5 | US9248140, 5)
Show SMILES OCCN(CCO)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClF3N4O8S3/c47-35-14-10-32(11-15-35)40-8-4-5-9-41(40)44(57)33-20-24-54(25-21-33)37-16-12-34(13-17-37)45(58)52-65(61,62)39-18-19-42(43(30-39)64(59,60)46(48,49)50)51-36(22-23-53(26-28-55)27-29-56)31-63-38-6-2-1-3-7-38/h1-19,30,33,36,44,51,55-57H,20-29,31H2,(H,52,58)/t36-,44-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156386
PNG
(US9018381, 9 | US9248140, 9)
Show SMILES CN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C45H49ClF3N4O10PS3/c1-52(27-28-63-64(56,57)58)24-23-35(30-65-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)66(59,60)45(47,48)49)67(61,62)51-44(55)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(54)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54H,21-28,30H2,1H3,(H,51,55)(H2,56,57,58)/t35-,43-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156385
PNG
(US9018381, 8 | US9248140, 8)
Show SMILES CCN(CCOP(O)(O)=O)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](O)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H51ClF3N4O10PS3/c1-2-53(28-29-64-65(57,58)59)25-24-36(31-66-38-8-4-3-5-9-38)51-42-21-20-39(30-43(42)67(60,61)46(48,49)50)68(62,63)52-45(56)34-14-18-37(19-15-34)54-26-22-33(23-27-54)44(55)41-11-7-6-10-40(41)32-12-16-35(47)17-13-32/h3-21,30,33,36,44,51,55H,2,22-29,31H2,1H3,(H,52,56)(H2,57,58,59)/t36-,44-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427830
PNG
(CHEMBL2325766)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NS(C)(=O)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN8O7S3/c1-33-45(48(58)52-66(5,61)62)46(47(54(33)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)51-67(63,64)42-22-23-43(44(31-42)57(59)60)50-38(24-25-53(2)3)32-65-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,24-29,32H2,1-5H3,(H,52,58)/t38-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer


(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/a<1n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Bcl2


Bioorg Med Chem 20: 4194-200 (2012)


Article DOI: 10.1016/j.bmc.2012.05.079
BindingDB Entry DOI: 10.7270/Q24F1TMQ
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50162774
PNG
(ABT-199 | VENETOCLAX | Venetoclax)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
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/a<1n/an/an/an/an/an/a



Wuhan University School of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of FAM-Bid binding to human BCL2 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay


ACS Med Chem Lett 7: 1185-1190 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00302
BindingDB Entry DOI: 10.7270/Q25T3NGQ
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156400
PNG
(US9018381, 23 | US9248140, 23)
Show SMILES OC[C@@H]1CN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38+,45-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156383
PNG
(US9018381, 6 | US9248140, 6)
Show SMILES O[C@H](CF)CN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C49H54ClF4N5O7S3/c50-37-14-10-34(11-15-37)43-8-4-5-9-44(43)47(61)35-20-24-59(25-21-35)39-16-12-36(13-17-39)48(62)56-69(65,66)42-18-19-45(46(30-42)68(63,64)49(52,53)54)55-38(33-67-41-6-2-1-3-7-41)22-23-57-26-28-58(29-27-57)32-40(60)31-51/h1-19,30,35,38,40,47,55,60-61H,20-29,31-33H2,(H,56,62)/t38-,40-,47-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156376
PNG
(US9018381, 1 | US9248140, 1)
Show SMILES OCCN1CCN(CC[C@H](CSc2ccccc2)Nc2ccc(cc2S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c2ccc(cc2)N2CCC(CC2)[C@@H](O)c2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C48H53ClF3N5O7S3/c49-37-14-10-34(11-15-37)42-8-4-5-9-43(42)46(59)35-20-24-57(25-21-35)39-16-12-36(13-17-39)47(60)54-67(63,64)41-18-19-44(45(32-41)66(61,62)48(50,51)52)53-38(33-65-40-6-2-1-3-7-40)22-23-55-26-28-56(29-27-55)30-31-58/h1-19,32,35,38,46,53,58-59H,20-31,33H2,(H,54,60)/t38-,46-/m1/s1
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n/an/a<1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156407
PNG
(US9018381, 30 | US9248140, 30)
Show SMILES COP(O)(=O)O[C@H](C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)S(=O)(=O)C(F)(F)F)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H51ClF3N4O10PS3/c1-63-66(57,58)65-45(42-10-6-5-9-41(42)33-11-15-36(48)16-12-33)34-21-25-55(26-22-34)38-17-13-35(14-18-38)46(56)53-69(61,62)40-19-20-43(44(31-40)68(59,60)47(49,50)51)52-37(23-24-54-27-29-64-30-28-54)32-67-39-7-3-2-4-8-39/h2-20,31,34,37,45,52H,21-30,32H2,1H3,(H,53,56)(H,57,58)/t37-,45-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427826
PNG
(CHEMBL2325770)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C47H47ClF3N7O6S2/c1-54(2)23-22-35(30-65-38-10-5-4-6-11-38)52-40-21-20-39(29-41(40)58(61)62)66(63,64)53-34-16-18-36(19-17-34)56-24-26-57(27-25-56)37-9-7-8-32(28-37)42-43(46(59)60)45(47(49,50)51)55(3)44(42)31-12-14-33(48)15-13-31/h4-21,28-29,35,52-53H,22-27,30H2,1-3H3,(H,59,60)/t35-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361574
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H50ClN7O7S/c47-35-4-2-32(3-5-35)40-27-46(14-1-15-46)16-10-34(40)30-52-18-20-53(21-19-52)36-6-8-39(43(25-36)61-37-24-33-11-17-48-44(33)50-29-37)45(55)51-62(58,59)38-7-9-41(42(26-38)54(56)57)49-28-31-12-22-60-23-13-31/h2-9,11,17,24-26,29,31,49H,1,10,12-16,18-23,27-28,30H2,(H,48,50)(H,51,55)
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n/an/a 1.20n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50466308
PNG
(CHEMBL4295247)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCN3CCN(CC3)c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc4cnc5[nH]ccc5c4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C48H61N7O11S/c1-30-6-10-39-31(2)42(63-46-48(39)38(30)12-16-47(3,64-46)65-66-48)5-4-18-53-19-21-54(22-20-53)34-7-9-37(43(26-34)62-35-25-33-13-17-49-44(33)51-29-35)45(56)52-67(59,60)36-8-11-40(41(27-36)55(57)58)50-28-32-14-23-61-24-15-32/h7-9,11,13,17,25-27,29-32,38-39,42,46,50H,4-6,10,12,14-16,18-24,28H2,1-3H3,(H,49,51)(H,52,56)/t30-,31-,38+,39+,42-,46-,47-,48-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


Assay Description
Inhibition of FAM-labelled Bax binding to Bcl2 (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 159: 149-165 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.059
BindingDB Entry DOI: 10.7270/Q25141W3
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361590
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(CC3CCOCC3)cc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)29-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)30-55(51-42)28-31-10-20-62-21-11-31/h2-7,9,15,22-25,27,30-31H,1,8,10-14,16-21,26,28-29H2,(H,49,50)(H,52,57)
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n/an/a 1.30n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361584
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
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n/an/a 1.30n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388983
PNG
(CHEMBL2063883)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C57H71ClN10O7S2/c1-62(2)27-23-46(41-76-50-11-5-4-6-12-50)60-53-22-21-51(38-54(53)68(72)73)77(74,75)61-45-17-19-47(20-18-45)65-33-35-66(36-34-65)48-10-7-9-43(37-48)55-52(42-13-15-44(58)16-14-42)39-67(28-24-49(70)40-69)56(55)57(71)59-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,37-39,46,49,60-61,69-70H,8,23-36,40-41H2,1-3H3,(H,59,71)/t46-,49+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50393833
PNG
(CHEMBL2159737)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H50ClN7O6S2/c1-32-44(47(56)57)45(46(52(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-63(60,61)41-21-22-42(43(30-41)55(58)59)49-37(23-24-51(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3,(H,56,57)/t37-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388984
PNG
(CHEMBL2063884)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)-c1cn(nn1)-c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H64ClN11O7S2/c1-62(2)27-23-44(38-75-47-11-5-4-6-12-47)58-50-22-21-48(34-52(50)67(71)72)76(73,74)60-43-19-15-40(16-20-43)51-36-66(61-59-51)45-10-7-9-41(33-45)53-49(39-13-17-42(56)18-14-39)35-65(28-24-46(69)37-68)54(53)55(70)57-25-8-26-64-31-29-63(3)30-32-64/h4-7,9-22,33-36,44,46,58,60,68-69H,8,23-32,37-38H2,1-3H3,(H,57,70)/t44-,46+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361572
PNG
((R)-N-((4-(((1,4-dioxan-2-yl)methyl)amino)-3- nitr...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1COCCO1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
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n/an/a 1.40n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361592
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2nn(cc12)C1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN8O7S/c47-33-4-2-30(3-5-33)39-26-46(12-1-13-46)14-8-32(39)28-52-16-18-53(19-17-52)35-6-7-38(43(23-35)62-36-22-31-9-15-48-44(31)49-27-36)45(56)51-63(59,60)37-24-41-40(42(25-37)55(57)58)29-54(50-41)34-10-20-61-21-11-34/h2-7,9,15,22-25,27,29,34H,1,8,10-14,16-21,26,28H2,(H,48,49)(H,51,56)
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n/an/a 1.40n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50393831
PNG
(CHEMBL2159740)
Show SMILES CC(C)n1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C49H54ClN7O6S2/c1-33(2)56-34(3)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(30-36)55-28-26-54(27-29-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-39(24-25-53(4)5)32-64-42-12-7-6-8-13-42/h6-23,30-31,33,39,51-52H,24-29,32H2,1-5H3,(H,58,59)/t39-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427825
PNG
(CHEMBL2325771)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/t35-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354621
PNG
(3-(6-{4-[(4-Hydroxyphenyl)(methyl)carbamoyl]-1,5-d...)
Show SMILES CN(C(=O)c1cc(-c2cc3CCN(Cc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(C)CC2)C(=O)Oc2cccc(c2)C(O)=O)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C47H50N6O7/c1-30-40(44(55)50(4)36-12-14-38(54)15-13-36)26-43(49(30)3)41-24-32-16-17-52(47(59)60-39-11-7-10-33(23-39)46(57)58)27-35(32)25-42(41)45(56)53-28-34-9-6-5-8-31(34)22-37(53)29-51-20-18-48(2)19-21-51/h5-15,23-26,37,54H,16-22,27-29H2,1-4H3,(H,57,58)/t37-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Les Laboratoires Servier

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361589
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4- ((6-(...)
Show SMILES [O-][N+](=O)c1cc(cc2n(CC3CCOCC3)ncc12)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC3(CCC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C47H49ClN8O7S/c48-35-4-2-32(3-5-35)40-26-47(12-1-13-47)14-8-34(40)30-53-16-18-54(19-17-53)36-6-7-39(44(23-36)63-37-22-33-9-15-49-45(33)50-27-37)46(57)52-64(60,61)38-24-42-41(43(25-38)56(58)59)28-51-55(42)29-31-10-20-62-21-11-31/h2-7,9,15,22-25,27-28,31H,1,8,10-14,16-21,26,29-30H2,(H,49,50)(H,52,57)
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n/an/a 1.60n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388993
PNG
(CHEMBL2063896)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(C)c1C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClN7O6S2/c1-50(2)23-22-36(31-61-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)54(57)58)62(59,60)49-35-16-18-37(19-17-35)52-24-26-53(27-25-52)38-9-7-8-33(28-38)44-41(30-51(3)45(44)46(55)56)32-12-14-34(47)15-13-32/h4-21,28-30,36,48-49H,22-27,31H2,1-3H3,(H,55,56)/t36-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161571
PNG
(US9108983, Example 386 | US9108983, Example 449)
Show SMILES Cc1c(cc(C#N)n1C)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1
Show InChI InChI=1S/C41H41ClN6O4/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3/t33-/m0/s1
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n/an/a 1.70n/an/an/an/a7.4n/a



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US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM354602
PNG
(4-[2-(Dimethylamino)ethoxy]phenyl 6-{4-[(4-hydroxy...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2CN(CCc2cc1-c1cc(C(=O)N(C)c2ccc(O)cc2)c(C)n1C)C(=O)Oc1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C45H49N5O6/c1-29-23-31-9-7-8-10-33(31)28-50(29)44(53)41-25-34-27-49(45(54)56-38-17-15-37(16-18-38)55-22-21-46(3)4)20-19-32(34)24-40(41)42-26-39(30(2)47(42)5)43(52)48(6)35-11-13-36(51)14-12-35/h7-18,24-26,29,51H,19-23,27-28H2,1-6H3/t29-/m1/s1
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US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9809574 (2017)


BindingDB Entry DOI: 10.7270/Q2MP55DF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427811
PNG
(BM-1074 | CHEMBL2325764)
Show SMILES CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50427812
PNG
(BM-1075 | CHEMBL2325763)
Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 56: 3048-67 (2013)


Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50466304
PNG
(CHEMBL4286311)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(CC3)c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc4cnc5[nH]ccc5c4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4
Show InChI InChI=1S/C47H59N7O10S/c1-29-4-8-38-30(2)41(62-45-47(38)37(29)10-15-46(3,63-45)64-47)12-17-52-18-20-53(21-19-52)33-5-7-36(42(25-33)61-34-24-32-11-16-48-43(32)50-28-34)44(55)51-65(58,59)35-6-9-39(40(26-35)54(56)57)49-27-31-13-22-60-23-14-31/h5-7,9,11,16,24-26,28-31,37-38,41,45,49H,4,8,10,12-15,17-23,27H2,1-3H3,(H,48,50)(H,51,55)/t29-,30-,37+,38+,41-,45-,46-,47-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


Assay Description
Inhibition of FAM-labelled Bax binding to Bcl2 (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 159: 149-165 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.059
BindingDB Entry DOI: 10.7270/Q25141W3
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM361580
PNG
(2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(1-((6-(4...)
Show SMILES [O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)C1=CCN(CC2=C(CC3(COC3)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H47ClN6O8S/c47-36-4-1-32(2-5-36)40-24-46(28-60-29-46)15-9-35(40)27-52-17-11-31(12-18-52)33-3-7-39(43(22-33)61-37-21-34-10-16-48-44(34)50-26-37)45(54)51-62(57,58)38-6-8-41(42(23-38)53(55)56)49-25-30-13-19-59-20-14-30/h1-8,10-11,16,21-23,26,30,49H,9,12-15,17-20,24-25,27-29H2,(H,48,50)(H,51,54)
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US Patent
n/an/a 1.90n/an/an/an/an/an/a



The Regents of the University of Michigan

US Patent


Assay Description
Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluor...


US Patent US10221174 (2019)


BindingDB Entry DOI: 10.7270/Q2CN766D
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM161636
PNG
(US9108983, Example 455)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1-c1cc(C(=O)N(c2cc(C#N)n(CCN3CCOCC3)c2C)c2ccc(O)cc2)c(C)n1C
Show InChI InChI=1S/C42H43ClN6O4/c1-27-21-30-7-5-6-8-31(30)26-48(27)41(51)36-14-9-32(43)22-38(36)40-24-37(28(2)45(40)4)42(52)49(33-10-12-35(50)13-11-33)39-23-34(25-44)47(29(39)3)16-15-46-17-19-53-20-18-46/h5-14,22-24,27,50H,15-21,26H2,1-4H3/t27-/m1/s1
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US Patent
n/an/a 1.90n/an/an/an/a7.4n/a



Les Laboratoires Servier

US Patent


Assay Description
The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 correspond...


US Patent US9108983 (2015)


BindingDB Entry DOI: 10.7270/Q2PC314Z
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50466301
PNG
(CHEMBL4284025)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(OCCNC3CCN(CC3)c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+]([O-])=O)c(Oc4cnc5[nH]ccc5c4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1S/C48H61N7O12S/c1-29-4-8-39-30(2)45(64-46-48(39)38(29)10-16-47(3,65-46)66-67-48)62-23-18-49-33-12-19-54(20-13-33)34-5-7-37(42(25-34)63-35-24-32-11-17-50-43(32)52-28-35)44(56)53-68(59,60)36-6-9-40(41(26-36)55(57)58)51-27-31-14-21-61-22-15-31/h5-7,9,11,17,24-26,28-31,33,38-39,45-46,49,51H,4,8,10,12-16,18-23,27H2,1-3H3,(H,50,52)(H,53,56)/t29-,30-,38+,39+,45?,46-,47-,48-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


Assay Description
Inhibition of FAM-labelled Bax binding to Bcl2 (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 159: 149-165 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.059
BindingDB Entry DOI: 10.7270/Q25141W3
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388985
PNG
(CHEMBL2063885)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C56H63ClN8O8S2/c1-61(2)29-25-46(39-74-48-11-5-4-6-12-48)59-51-24-23-49(36-52(51)65(70)71)75(72,73)60-55(68)43-17-15-40(16-18-43)13-14-41-9-7-10-44(35-41)53-50(42-19-21-45(57)22-20-42)37-64(30-26-47(67)38-66)54(53)56(69)58-27-8-28-63-33-31-62(3)32-34-63/h4-7,9-12,15-24,35-37,46-47,59,66-67H,8,25-34,38-39H2,1-3H3,(H,58,69)(H,60,68)/t46-,47+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer


(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
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/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal 6xHis-tagged Bcl-2 (M1 to F212 residues) expressed in Escherichia coli using HyLite Fluor 647-labeled BIM ...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126682
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(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/a 2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM156394
PNG
(US9018381, 17 | US9018381, 18 | US9248140, 18)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@@H](C#N)c1ccccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H47ClF3N5O6S3/c48-36-14-10-33(11-15-36)41-8-4-5-9-42(41)43(31-52)34-20-24-56(25-21-34)38-16-12-35(13-17-38)46(57)54-65(60,61)40-18-19-44(45(30-40)64(58,59)47(49,50)51)53-37(22-23-55-26-28-62-29-27-55)32-63-39-6-2-1-3-7-39/h1-19,30,34,37,43,53H,20-29,32H2,(H,54,57)/t37-,43-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of kno...


US Patent US9018381 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3X8D
More data for this
Ligand-Target Pair
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