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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'boulanger' and Initial = 'mj'   
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
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM5024
PNG
((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...)
Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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PubMed
0.830n/an/an/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...


Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50359308
PNG
(CHEMBL1928608)
Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1
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7.5n/an/an/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...


Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139226
PNG
(US8883846, 32)
Show SMILES CC(=O)N[C@H]1CS(=O)(=O)C2[C@H](C[C@@H](NC(N)=N)C12)C(O)=O |r|
Show InChI InChI=1S/C11H18N4O5S/c1-4(16)14-7-3-21(19,20)9-5(10(17)18)2-6(8(7)9)15-11(12)13/h5-9H,2-3H2,1H3,(H,14,16)(H,17,18)(H4,12,13,15)/t5-,6+,7-,8?,9?/m0/s1
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5.00E+3 -30.3 3.00E+4n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139222
PNG
(US8883846, 20 | US8883846, 31)
Show SMILES CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](N)[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C10H16N2O5S/c1-4(13)12-7-3-18(16,17)9-5(10(14)15)2-6(11)8(7)9/h5-9H,2-3,11H2,1H3,(H,12,13)(H,14,15)/t5-,6+,7-,8+,9+/m0/s1
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2.00E+4 -26.8 9.20E+4n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Brisbane/59/2007(H1N1)))
BDBM139224
PNG
(US8883846, 27)
Show SMILES CC(=O)N[C@H]1CC[C@@H]2[C@H](C[C@@H](N\C(NC(=O)OCc3ccccc3)=N\C(=O)OCc3ccccc3)[C@H]12)O[Si](C)(C)C(C)(C)C |r|
Show InChI InChI=1S/C33H46N4O6Si/c1-22(38)34-26-18-17-25-28(43-44(5,6)33(2,3)4)19-27(29(25)26)35-30(36-31(39)41-20-23-13-9-7-10-14-23)37-32(40)42-21-24-15-11-8-12-16-24/h7-16,25-29H,17-21H2,1-6H3,(H,34,38)(H2,35,36,37,39,40)/t25-,26+,27-,28+,29+/m1/s1
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1.00E+6 -17.1 3.80E+6n/an/an/an/an/a25



UVic Industry Partnerships Inc.

US Patent


Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into...


US Patent US8883846 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99HM
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM5024
PNG
((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...)
Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...


Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50359308
PNG
(CHEMBL1928608)
Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1
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n/an/a 17.7n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...


Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009510
PNG
(CHEMBL3234188)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C37H54BrN7O7/c1-23(2)20-29(37(52)41-28(14-10-11-19-45(4,5)6)35(50)44-31(22-46)32(39)47)42-33(48)24(3)40-36(51)30(21-25-12-8-7-9-13-25)43-34(49)26-15-17-27(38)18-16-26/h7-9,12-13,15-18,23-24,28-31,46H,10-11,14,19-22H2,1-6H3,(H6-,39,40,41,42,43,44,47,48,49,50,51,52)/p+1/t24-,28-,29-,30-,31-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009456
PNG
(CHEMBL3234138)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H53N7O7/c1-8-20(2)27(32(46)36-24(16-12-13-17-39(5,6)7)30(44)37-26(19-40)28(33)42)38-29(43)21(3)34-31(45)25(35-22(4)41)18-23-14-10-9-11-15-23/h9-11,14-15,20-21,24-27,40H,8,12-13,16-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t20-,21-,24-,25-,26-,27-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009468
PNG
(CHEMBL3234150)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C33H53N7O7/c1-21(35-32(46)26(36-22(2)42)19-23-13-7-6-8-14-23)30(44)39-28(24-15-9-10-16-24)33(47)37-25(17-11-12-18-40(3,4)5)31(45)38-27(20-41)29(34)43/h6-8,13-14,21,24-28,41H,9-12,15-20H2,1-5H3,(H6-,34,35,36,37,38,39,42,43,44,45,46,47)/p+1/t21-,25-,26-,27-,28-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009463
PNG
(CHEMBL3234145)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C35H51N7O8/c1-22(37-34(49)28(38-23(2)44)19-24-11-7-6-8-12-24)32(47)40-29(20-25-14-16-26(45)17-15-25)35(50)39-27(13-9-10-18-42(3,4)5)33(48)41-30(21-43)31(36)46/h6-8,11-12,14-17,22,27-30,43H,9-10,13,18-21H2,1-5H3,(H7-,36,37,38,39,40,41,44,45,46,47,48,49,50)/p+1/t22-,27-,28-,29-,30-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009512
PNG
(CHEMBL3234189)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(O)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C38H55N7O9/c1-23(2)20-29(37(52)41-28(14-10-11-19-45(4,5)6)35(50)44-31(22-46)32(39)47)42-33(48)24(3)40-36(51)30(21-25-12-8-7-9-13-25)43-34(49)26-15-17-27(18-16-26)38(53)54/h7-9,12-13,15-18,23-24,28-31,46H,10-11,14,19-22H2,1-6H3,(H7-,39,40,41,42,43,44,47,48,49,50,51,52,53,54)/p+1/t24-,28-,29-,30-,31-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009517
PNG
(CHEMBL3234435)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C39H57N7O9/c1-24(2)21-30(38(53)42-29(15-11-12-20-46(4,5)6)36(51)45-32(23-47)33(40)48)43-34(49)25(3)41-37(52)31(22-26-13-9-8-10-14-26)44-35(50)27-16-18-28(19-17-27)39(54)55-7/h8-10,13-14,16-19,24-25,29-32,47H,11-12,15,20-23H2,1-7H3,(H6-,40,41,42,43,44,45,48,49,50,51,52,53)/p+1/t25-,29-,30-,31-,32-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009518
PNG
(CHEMBL3234436)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C37H55N7O10S/c1-23(2)20-29(35(49)40-28(14-10-11-19-44(4,5)6)34(48)42-31(22-45)32(38)46)41-33(47)24(3)39-36(50)30(21-25-12-8-7-9-13-25)43-55(53,54)27-17-15-26(16-18-27)37(51)52/h7-9,12-13,15-18,23-24,28-31,43,45H,10-11,14,19-22H2,1-6H3,(H6-,38,39,40,41,42,46,47,48,49,50,51,52)/p+1/t24-,28-,29-,30-,31-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009455
PNG
(CHEMBL3234137)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C31H51N7O7/c1-19(2)26(31(45)35-23(15-11-12-16-38(5,6)7)29(43)36-25(18-39)27(32)41)37-28(42)20(3)33-30(44)24(34-21(4)40)17-22-13-9-8-10-14-22/h8-10,13-14,19-20,23-26,39H,11-12,15-18H2,1-7H3,(H6-,32,33,34,35,36,37,40,41,42,43,44,45)/p+1/t20-,23-,24-,25-,26-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009489
PNG
(CHEMBL3234171)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H54N8O7/c1-20(2)16-27(34(49)39-26(14-10-11-15-42(5,6)7)32(47)41-29(19-43)30(35)45)40-31(46)21(3)37-33(48)28(38-22(4)44)17-23-18-36-25-13-9-8-12-24(23)25/h8-9,12-13,18,20-21,26-29,36,43H,10-11,14-17,19H2,1-7H3,(H6-,35,37,38,39,40,41,44,45,46,47,48,49)/p+1/t21-,26-,27-,28-,29-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009488
PNG
(CHEMBL3234170)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H53N7O8/c1-19(2)16-25(32(47)36-24(10-8-9-15-39(5,6)7)30(45)38-27(18-40)28(33)43)37-29(44)20(3)34-31(46)26(35-21(4)41)17-22-11-13-23(42)14-12-22/h11-14,19-20,24-27,40H,8-10,15-18H2,1-7H3,(H7-,33,34,35,36,37,38,41,42,43,44,45,46,47)/p+1/t20-,24-,25-,26-,27-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009523
PNG
(CHEMBL3234438)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C37H55N7O7/c1-24(2)21-29(37(51)40-28(19-13-14-20-44(4,5)6)35(49)43-31(23-45)32(38)46)41-33(47)25(3)39-36(50)30(22-26-15-9-7-10-16-26)42-34(48)27-17-11-8-12-18-27/h7-12,15-18,24-25,28-31,45H,13-14,19-23H2,1-6H3,(H6-,38,39,40,41,42,43,46,47,48,49,50,51)/p+1/t25-,28-,29-,30-,31-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009469
PNG
(CHEMBL3234151)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C35H57N7O7/c1-23(37-34(48)28(38-24(2)44)20-25-14-8-6-9-15-25)32(46)40-29(21-26-16-10-7-11-17-26)35(49)39-27(18-12-13-19-42(3,4)5)33(47)41-30(22-43)31(36)45/h6,8-9,14-15,23,26-30,43H,7,10-13,16-22H2,1-5H3,(H6-,36,37,38,39,40,41,44,45,46,47,48,49)/p+1/t23-,27-,28-,29-,30-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009475
PNG
(CHEMBL3234157)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009461
PNG
(CHEMBL3234143)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H54N8O7/c1-21(35-32(47)26(36-22(2)42)19-23-13-7-6-8-14-23)29(44)37-24(15-9-11-17-33)30(45)38-25(16-10-12-18-40(3,4)5)31(46)39-27(20-41)28(34)43/h6-8,13-14,21,24-27,41H,9-12,15-20,33H2,1-5H3,(H6-,34,35,36,37,38,39,42,43,44,45,46,47)/p+1/t21-,24-,25-,26-,27-/m0/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009462
PNG
(CHEMBL3234144)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C35H51N7O7/c1-23(37-34(48)28(38-24(2)44)20-25-14-8-6-9-15-25)32(46)40-29(21-26-16-10-7-11-17-26)35(49)39-27(18-12-13-19-42(3,4)5)33(47)41-30(22-43)31(36)45/h6-11,14-17,23,27-30,43H,12-13,18-22H2,1-5H3,(H6-,36,37,38,39,40,41,44,45,46,47,48,49)/p+1/t23-,27-,28-,29-,30-/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009454
PNG
(CHEMBL3234136)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H53N7O7/c1-20(2)17-25(32(46)36-24(15-11-12-16-39(5,6)7)30(44)38-27(19-40)28(33)42)37-29(43)21(3)34-31(45)26(35-22(4)41)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,40H,11-12,15-19H2,1-7H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009465
PNG
(CHEMBL3234147)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H50N8O7/c1-22(37-33(48)27(38-23(2)44)18-24-12-7-6-8-13-24)31(46)40-28(19-25-14-11-16-36-20-25)34(49)39-26(15-9-10-17-42(3,4)5)32(47)41-29(21-43)30(35)45/h6-8,11-14,16,20,22,26-29,43H,9-10,15,17-19,21H2,1-5H3,(H6-,35,37,38,39,40,41,44,45,46,47,48,49)/p+1/t22-,26-,27-,28-,29-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009467
PNG
(CHEMBL3234149)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H51N7O7/c1-20(34-31(45)25(35-21(2)41)17-22-11-7-6-8-12-22)29(43)37-26(18-23-14-15-23)32(46)36-24(13-9-10-16-39(3,4)5)30(44)38-27(19-40)28(33)42/h6-8,11-12,20,23-27,40H,9-10,13-19H2,1-5H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t20-,24-,25-,26-,27-/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009464
PNG
(CHEMBL3234146)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C37H52N8O7/c1-23(40-36(51)30(41-24(2)47)19-25-13-7-6-8-14-25)34(49)43-31(20-26-21-39-28-16-10-9-15-27(26)28)37(52)42-29(17-11-12-18-45(3,4)5)35(50)44-32(22-46)33(38)48/h6-10,13-16,21,23,29-32,39,46H,11-12,17-20,22H2,1-5H3,(H6-,38,40,41,42,43,44,47,48,49,50,51,52)/p+1/t23-,29-,30-,31-,32-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009466
PNG
(CHEMBL3234148)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C1CC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C31H49N7O7/c1-19(33-30(44)24(34-20(2)40)17-21-11-7-6-8-12-21)28(42)37-26(22-14-15-22)31(45)35-23(13-9-10-16-38(3,4)5)29(43)36-25(18-39)27(32)41/h6-8,11-12,19,22-26,39H,9-10,13-18H2,1-5H3,(H6-,32,33,34,35,36,37,40,41,42,43,44,45)/p+1/t19-,23-,24-,25-,26-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009486
PNG
(CHEMBL3234168)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NCCN |r|
Show InChI InChI=1S/C31H53N7O5/c1-21(2)19-26(31(43)36-25(29(41)33-17-16-32)15-11-12-18-38(5,6)7)37-28(40)22(3)34-30(42)27(35-23(4)39)20-24-13-9-8-10-14-24/h8-10,13-14,21-22,25-27H,11-12,15-20,32H2,1-7H3,(H4-,33,34,35,36,37,39,40,41,42,43)/p+1/t22-,25-,26-,27-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009493
PNG
(CHEMBL3234175)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C29H48N6O6/c1-19(2)16-23(33-27(39)20(3)31-25(37)17-21-12-8-7-9-13-21)29(41)32-22(14-10-11-15-35(4,5)6)28(40)34-24(18-36)26(30)38/h7-9,12-13,19-20,22-24,36H,10-11,14-18H2,1-6H3,(H5-,30,31,32,33,34,37,38,39,40,41)/p+1/t20-,22-,23-,24-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009458
PNG
(CHEMBL3234140)
Show SMILES CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H53N7O7/c1-7-8-16-24(30(44)37-25(17-12-13-18-39(4,5)6)31(45)38-27(20-40)28(33)42)36-29(43)21(2)34-32(46)26(35-22(3)41)19-23-14-10-9-11-15-23/h9-11,14-15,21,24-27,40H,7-8,12-13,16-20H2,1-6H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009485
PNG
(CHEMBL3234167)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r|
Show InChI InChI=1S/C32H54N6O7/c1-21(2)17-27(32(45)36-26(15-11-12-16-38(5,6)7)30(43)35-25(19-39)20-40)37-29(42)22(3)33-31(44)28(34-23(4)41)18-24-13-9-8-10-14-24/h8-10,13-14,21-22,25-28,39-40H,11-12,15-20H2,1-7H3,(H4-,33,34,35,36,37,41,42,43,44,45)/p+1/t22-,26-,27-,28-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009484
PNG
(CHEMBL3234166)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NCCO |r|
Show InChI InChI=1S/C31H52N6O6/c1-21(2)19-26(31(43)35-25(29(41)32-16-18-38)15-11-12-17-37(5,6)7)36-28(40)22(3)33-30(42)27(34-23(4)39)20-24-13-9-8-10-14-24/h8-10,13-14,21-22,25-27,38H,11-12,15-20H2,1-7H3,(H4-,32,33,34,35,36,39,40,41,42,43)/p+1/t22-,25-,26-,27-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009490
PNG
(CHEMBL3234172)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)c1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C31H51N7O7/c1-19(2)17-24(36-28(42)20(3)33-31(45)26(34-21(4)40)22-13-9-8-10-14-22)30(44)35-23(15-11-12-16-38(5,6)7)29(43)37-25(18-39)27(32)41/h8-10,13-14,19-20,23-26,39H,11-12,15-18H2,1-7H3,(H6-,32,33,34,35,36,37,40,41,42,43,44,45)/p+1/t20-,23-,24-,25-,26-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009495
PNG
(CHEMBL3234177)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H50N6O6/c1-20(2)18-24(34-28(40)21(3)32-26(38)16-15-22-12-8-7-9-13-22)30(42)33-23(14-10-11-17-36(4,5)6)29(41)35-25(19-37)27(31)39/h7-9,12-13,20-21,23-25,37H,10-11,14-19H2,1-6H3,(H5-,31,32,33,34,35,38,39,40,41,42)/p+1/t21-,23-,24-,25-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009556
PNG
(CHEMBL3234156)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C32H52N6O8/c1-20(2)17-25(31(44)35-24(15-11-12-16-38(5,6)7)29(42)37-27(19-39)32(45)46)36-28(41)21(3)33-30(43)26(34-22(4)40)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,39H,11-12,15-19H2,1-7H3,(H5-,33,34,35,36,37,40,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009502
PNG
(CHEMBL3234184)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H51N7O8S/c1-19(2)16-24(30(43)34-23(10-8-9-15-37(5,6)7)29(42)36-25(18-38)27(31)40)35-28(41)21(4)33-26(39)17-32-46(44,45)22-13-11-20(3)12-14-22/h11-14,19,21,23-25,32,38H,8-10,15-18H2,1-7H3,(H5-,31,33,34,35,36,39,40,41,42,43)/p+1/t21-,23-,24-,25-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009482
PNG
(CHEMBL3234164)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)Nc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C36H52N8O5/c1-23(2)21-30(40-32(46)24(3)37-34(48)31(38-25(4)45)22-26-15-9-8-10-16-26)35(49)39-29(19-13-14-20-44(5,6)7)33(47)43-36-41-27-17-11-12-18-28(27)42-36/h8-12,15-18,23-24,29-31H,13-14,19-22H2,1-7H3,(H5-,37,38,39,40,41,42,43,45,46,47,48,49)/p+1/t24-,29-,30-,31-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009460
PNG
(CHEMBL3234142)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H49N7O8/c1-18(32-29(44)23(33-20(3)40)16-21-12-8-7-9-13-21)27(42)36-25(19(2)39)30(45)34-22(14-10-11-15-37(4,5)6)28(43)35-24(17-38)26(31)41/h7-9,12-13,18-19,22-25,38-39H,10-11,14-17H2,1-6H3,(H6-,31,32,33,34,35,36,40,41,42,43,44,45)/p+1/t18-,19+,22-,23-,24-,25-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009470
PNG
(CHEMBL3234152)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C33H55N7O7/c1-8-24(36-33(47)27(35-22(4)42)19-23-14-10-9-11-15-23)30(44)38-26(18-21(2)3)32(46)37-25(16-12-13-17-40(5,6)7)31(45)39-28(20-41)29(34)43/h9-11,14-15,21,24-28,41H,8,12-13,16-20H2,1-7H3,(H6-,34,35,36,37,38,39,42,43,44,45,46,47)/p+1/t24-,25-,26-,27-,28-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009503
PNG
(CHEMBL3234185)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H49N7O10S/c1-18(2)15-23(29(43)34-22(9-7-8-14-37(4,5)6)28(42)36-24(17-38)26(31)40)35-27(41)19(3)33-25(39)16-32-48(46,47)21-12-10-20(11-13-21)30(44)45/h10-13,18-19,22-24,32,38H,7-9,14-17H2,1-6H3,(H6-,31,33,34,35,36,39,40,41,42,43,44,45)/p+1/t19-,22-,23-,24-/m0/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009472
PNG
(CHEMBL3234154)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H53N7O8/c1-20(2)16-24(30(45)35-23(14-10-11-15-39(4,5)6)29(44)37-26(18-40)28(33)43)36-32(47)27(19-41)38-31(46)25(34-21(3)42)17-22-12-8-7-9-13-22/h7-9,12-13,20,23-27,40-41H,10-11,14-19H2,1-6H3,(H6-,33,34,35,36,37,38,42,43,44,45,46,47)/p+1/t23-,24-,25-,26-,27-/m0/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009524
PNG
(CHEMBL3234439)
Show SMILES COC(=O)c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C38H57N7O10S/c1-24(2)21-30(36(50)41-29(15-11-12-20-45(4,5)6)35(49)43-32(23-46)33(39)47)42-34(48)25(3)40-37(51)31(22-26-13-9-8-10-14-26)44-56(53,54)28-18-16-27(17-19-28)38(52)55-7/h8-10,13-14,16-19,24-25,29-32,44,46H,11-12,15,20-23H2,1-7H3,(H5-,39,40,41,42,43,47,48,49,50,51)/p+1/t25-,29-,30-,31-,32-/m0/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009491
PNG
(CHEMBL3234173)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C28H46N6O6/c1-18(2)16-22(32-25(37)19(3)30-26(38)20-12-8-7-9-13-20)28(40)31-21(14-10-11-15-34(4,5)6)27(39)33-23(17-35)24(29)36/h7-9,12-13,18-19,21-23,35H,10-11,14-17H2,1-6H3,(H5-,29,30,31,32,33,36,37,38,39,40)/p+1/t19-,21-,22-,23-/m0/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009499
PNG
(CHEMBL3234181)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C29H48N6O7/c1-19(2)16-23(33-26(38)20(3)31-29(41)42-18-21-12-8-7-9-13-21)28(40)32-22(14-10-11-15-35(4,5)6)27(39)34-24(17-36)25(30)37/h7-9,12-13,19-20,22-24,36H,10-11,14-18H2,1-6H3,(H5-,30,31,32,33,34,37,38,39,40,41)/p+1/t20-,22-,23-,24-/m0/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009497
PNG
(CHEMBL3234179)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H49N7O7/c1-19(2)16-23(35-27(41)20(3)33-25(39)17-32-28(42)21-12-8-7-9-13-21)30(44)34-22(14-10-11-15-37(4,5)6)29(43)36-24(18-38)26(31)40/h7-9,12-13,19-20,22-24,38H,10-11,14-18H2,1-6H3,(H6-,31,32,33,34,35,36,39,40,41,42,43,44)/p+1/t20-,22-,23-,24-/m0/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009459
PNG
(CHEMBL3234141)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C31H51N7O7S/c1-20(33-31(45)25(34-21(2)40)18-22-12-8-7-9-13-22)28(42)35-24(15-17-46-6)30(44)36-23(14-10-11-16-38(3,4)5)29(43)37-26(19-39)27(32)41/h7-9,12-13,20,23-26,39H,10-11,14-19H2,1-6H3,(H6-,32,33,34,35,36,37,40,41,42,43,44,45)/p+1/t20-,23-,24-,25-,26-/m0/s1
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PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009496
PNG
(CHEMBL3234178)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C30H47N7O6/c1-18(2)15-24(35-27(40)19(3)33-28(41)21-16-32-22-12-8-7-11-20(21)22)30(43)34-23(13-9-10-14-37(4,5)6)29(42)36-25(17-38)26(31)39/h7-8,11-12,16,18-19,23-25,38H,9-10,13-15,17H2,1-6H3,(H6-,31,32,33,34,35,36,39,40,41,42,43)/p+1/t19-,23-,24-,25-/m0/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009457
PNG
(CHEMBL3234139)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1S/C32H53N7O7/c1-20(34-30(45)24(35-21(2)41)18-22-14-10-9-11-15-22)28(43)38-26(32(3,4)5)31(46)36-23(16-12-13-17-39(6,7)8)29(44)37-25(19-40)27(33)42/h9-11,14-15,20,23-26,40H,12-13,16-19H2,1-8H3,(H6-,33,34,35,36,37,38,41,42,43,44,45,46)/p+1/t20-,23-,24-,25-,26+/m0/s1
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PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009476
PNG
(CHEMBL3234158)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@H](CO)C(O)=O |r|
Show InChI InChI=1S/C32H52N6O8/c1-20(2)17-25(31(44)35-24(15-11-12-16-38(5,6)7)29(42)37-27(19-39)32(45)46)36-28(41)21(3)33-30(43)26(34-22(4)40)18-23-13-9-8-10-14-23/h8-10,13-14,20-21,24-27,39H,11-12,15-19H2,1-7H3,(H5-,33,34,35,36,37,40,41,42,43,44,45,46)/p+1/t21-,24-,25-,26-,27+/m0/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50009494
PNG
(CHEMBL3234176)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)Cc1ccccc1Br)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C29H47BrN6O6/c1-18(2)15-23(34-27(40)19(3)32-25(38)16-20-11-7-8-12-21(20)30)29(42)33-22(13-9-10-14-36(4,5)6)28(41)35-24(17-37)26(31)39/h7-8,11-12,18-19,22-24,37H,9-10,13-17H2,1-6H3,(H5-,31,32,33,34,35,38,39,40,41,42)/p+1/t19-,22-,23-,24-/m0/s1
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Article
PubMed
n/an/a 8.90E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay


J Med Chem 57: 2874-83 (2014)


Article DOI: 10.1021/jm401487x
BindingDB Entry DOI: 10.7270/Q2571DJ3
More data for this
Ligand-Target Pair
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