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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 1323.3
BDBM50157395		Wt: 1351.4
BDBM50157400		Wt: 839.7
BDBM50157430		Wt: 1486.4
BDBM50155931		Wt: 795.0
BDBM50194259Purchase
Wt: 1214.4
BDBM50538809		Wt: 1470.5
BDBM50538810		Wt: 1484.4
BDBM50538811		Wt: 1462.4
BDBM50538812		Wt: 952.9
BDBM50538815
Wt: 968.9
BDBM50538816		Wt: 1067.2
BDBM50538808		Wt: 1468.6
BDBM50538813		Wt: 1442.6
BDBM50538814		Wt: 944.9
BDBM50538817
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 92 hits in this display   
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
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His-tagged CBX4 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromodomain Y-like protein 2


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human C-terminal His-tagged CDYL2 chromodomain (1 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)p...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50538815
PNG
(CHEMBL4640937)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(N)=O |r|
Show InChI InChI=1S/C46H63BrN8O9/c1-28(2)24-36(40(48)58)51-46(64)39(27-56)54-43(61)35(14-10-11-23-55(4,5)6)50-45(63)38(26-31-15-21-34(57)22-16-31)52-41(59)29(3)49-44(62)37(25-30-12-8-7-9-13-30)53-42(60)32-17-19-33(47)20-18-32/h7-9,12-13,15-22,28-29,35-39,56H,10-11,14,23-27H2,1-6H3,(H8-,48,49,50,51,52,53,54,57,58,59,60,61,62,63,64)/p+1/t29-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His-tagged CBX8 chromodomain (8 to 61 residues) expressed in Escherichia coli Rosetta BL21(DE3)pL...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50157430
PNG
(CHEMBL3781271)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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/C40H52BrN7O8/c1-25(43-39(55)32(22-26-10-6-5-7-11-26)46-37(53)28-15-17-29(41)18-16-28)36(52)45-33(23-27-13-19-30(50)20-14-27)40(56)44-31(12-8-9-21-48(2,3)4)38(54)47-34(24-49)35(42)51/h5-7,10-11,13-20,25,31-34,49H,8-9,12,21-24H2,1-4H3,(H7-,42,43,44,45,46,47,50,51,52,53,54,55,56)/p+1/t25-,31-,32-,33-,34-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX7 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe ...

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50538816
PNG
(CHEMBL4642464)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H59BrN8O11/c1-27(48-43(63)35(24-28-10-6-5-7-11-28)52-41(61)30-15-17-31(46)18-16-30)40(60)51-36(25-29-13-19-32(56)20-14-29)44(64)50-34(12-8-9-23-54(2,3)4)42(62)53-37(26-55)45(65)49-33(39(47)59)21-22-38(57)58/h5-7,10-11,13-20,27,33-37,55H,8-9,12,21-26H2,1-4H3,(H9-,47,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65)/p+1/t27-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50157430
PNG
(CHEMBL3781271)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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/C40H52BrN7O8/c1-25(43-39(55)32(22-26-10-6-5-7-11-26)46-37(53)28-15-17-29(41)18-16-28)36(52)45-33(23-27-13-19-30(50)20-14-27)40(56)44-31(12-8-9-21-48(2,3)4)38(54)47-34(24-49)35(42)51/h5-7,10-11,13-20,25,31-34,49H,8-9,12,21-24H2,1-4H3,(H7-,42,43,44,45,46,47,50,51,52,53,54,55,56)/p+1/t25-,31-,32-,33-,34-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50538817
PNG
(CHEMBL4646032)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C44H63BrN8O10/c1-5-31(47-42(61)34(25-27-13-7-6-8-14-27)50-39(58)29-18-20-30(45)21-19-29)40(59)52-37(28-15-9-10-16-28)44(63)49-33(17-11-12-24-53(2,3)4)41(60)51-35(26-54)43(62)48-32(38(46)57)22-23-36(55)56/h6-8,13-14,18-21,28,31-35,37,54H,5,9-12,15-17,22-26H2,1-4H3,(H8-,46,47,48,49,50,51,52,55,56,57,58,59,60,61,62,63)/p+1/t31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX6 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))		BDBM50538817
PNG
(CHEMBL4646032)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C44H63BrN8O10/c1-5-31(47-42(61)34(25-27-13-7-6-8-14-27)50-39(58)29-18-20-30(45)21-19-29)40(59)52-37(28-15-9-10-16-28)44(63)49-33(17-11-12-24-53(2,3)4)41(60)51-35(26-54)43(62)48-32(38(46)57)22-23-36(55)56/h6-8,13-14,18-21,28,31-35,37,54H,5,9-12,15-17,22-26H2,1-4H3,(H8-,46,47,48,49,50,51,52,55,56,57,58,59,60,61,62,63)/p+1/t31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX8 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50538816
PNG
(CHEMBL4642464)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H59BrN8O11/c1-27(48-43(63)35(24-28-10-6-5-7-11-28)52-41(61)30-15-17-31(46)18-16-30)40(60)51-36(25-29-13-19-32(56)20-14-29)44(64)50-34(12-8-9-23-54(2,3)4)42(62)53-37(26-55)45(65)49-33(39(47)59)21-22-38(57)58/h5-7,10-11,13-20,27,33-37,55H,8-9,12,21-26H2,1-4H3,(H9-,47,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65)/p+1/t27-,33-,34-,35-,36-,37-/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
Inhibition of CBX6 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50538817
PNG
(CHEMBL4646032)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C44H63BrN8O10/c1-5-31(47-42(61)34(25-27-13-7-6-8-14-27)50-39(58)29-18-20-30(45)21-19-29)40(59)52-37(28-15-9-10-16-28)44(63)49-33(17-11-12-24-53(2,3)4)41(60)51-35(26-54)43(62)48-32(38(46)57)22-23-36(55)56/h6-8,13-14,18-21,28,31-35,37,54H,5,9-12,15-17,22-26H2,1-4H3,(H8-,46,47,48,49,50,51,52,55,56,57,58,59,60,61,62,63)/p+1/t31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))		BDBM50538816
PNG
(CHEMBL4642464)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C45H59BrN8O11/c1-27(48-43(63)35(24-28-10-6-5-7-11-28)52-41(61)30-15-17-31(46)18-16-30)40(60)51-36(25-29-13-19-32(56)20-14-29)44(64)50-34(12-8-9-23-54(2,3)4)42(62)53-37(26-55)45(65)49-33(39(47)59)21-22-38(57)58/h5-7,10-11,13-20,27,33-37,55H,8-9,12,21-26H2,1-4H3,(H9-,47,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65)/p+1/t27-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX8 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50538815
PNG
(CHEMBL4640937)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(N)=O |r|
Show InChI InChI=1S/C46H63BrN8O9/c1-28(2)24-36(40(48)58)51-46(64)39(27-56)54-43(61)35(14-10-11-23-55(4,5)6)50-45(63)38(26-31-15-21-34(57)22-16-31)52-41(59)29(3)49-44(62)37(25-30-12-8-7-9-13-30)53-42(60)32-17-19-33(47)20-18-32/h7-9,12-13,15-22,28-29,35-39,56H,10-11,14,23-27H2,1-6H3,(H8-,48,49,50,51,52,53,54,57,58,59,60,61,62,63,64)/p+1/t29-,35-,36-,37-,38-,39-/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
Inhibition of CBX6 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50157430
PNG
(CHEMBL3781271)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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/C40H52BrN7O8/c1-25(43-39(55)32(22-26-10-6-5-7-11-26)46-37(53)28-15-17-29(41)18-16-28)36(52)45-33(23-27-13-19-30(50)20-14-27)40(56)44-31(12-8-9-21-48(2,3)4)38(54)47-34(24-49)35(42)51/h5-7,10-11,13-20,25,31-34,49H,8-9,12,21-24H2,1-4H3,(H7-,42,43,44,45,46,47,50,51,52,53,54,55,56)/p+1/t25-,31-,32-,33-,34-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX6 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))		BDBM50538815
PNG
(CHEMBL4640937)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(N)=O |r|
Show InChI InChI=1S/C46H63BrN8O9/c1-28(2)24-36(40(48)58)51-46(64)39(27-56)54-43(61)35(14-10-11-23-55(4,5)6)50-45(63)38(26-31-15-21-34(57)22-16-31)52-41(59)29(3)49-44(62)37(25-30-12-8-7-9-13-30)53-42(60)32-17-19-33(47)20-18-32/h7-9,12-13,15-22,28-29,35-39,56H,10-11,14,23-27H2,1-6H3,(H8-,48,49,50,51,52,53,54,57,58,59,60,61,62,63,64)/p+1/t29-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX8 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))		BDBM50157430
PNG
(CHEMBL3781271)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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/C40H52BrN7O8/c1-25(43-39(55)32(22-26-10-6-5-7-11-26)46-37(53)28-15-17-29(41)18-16-28)36(52)45-33(23-27-13-19-30(50)20-14-27)40(56)44-31(12-8-9-21-48(2,3)4)38(54)47-34(24-49)35(42)51/h5-7,10-11,13-20,25,31-34,49H,8-9,12,21-24H2,1-4H3,(H7-,42,43,44,45,46,47,50,51,52,53,54,55,56)/p+1/t25-,31-,32-,33-,34-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of CBX8 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 5


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human N-terminal His-tagged CBX5 chromodomain (18 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)p...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 1


(Homo sapiens (Human))		BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1
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n/an/an/a 5.50E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX1 (20 to 73 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive bind...

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50157395
PNG
(CHEMBL3780663)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C61H85BrN12O14S/c1-36(65-58(85)45(32-37-14-6-5-7-15-37)70-55(82)39-22-24-40(62)25-23-39)54(81)69-46(33-38-20-26-41(76)27-21-38)59(86)67-43(17-11-13-31-74(2,3)4)56(83)71-47(34-75)60(87)68-44(28-29-51(78)79)57(84)66-42(53(63)80)16-10-12-30-64-50(77)19-9-8-18-49-52-48(35-89-49)72-61(88)73-52/h5-7,14-15,20-27,36,42-49,52,75H,8-13,16-19,28-35H2,1-4H3,(H13-,63,64,65,66,67,68,69,70,71,72,73,76,77,78,79,80,81,82,83,84,85,86,87,88)/p+1/t36-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
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n/an/an/a 160n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX7 (8 to 62 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50157400
PNG
(CHEMBL3781600)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C63H89BrN12O14S/c1-37(2)53(74-60(87)47(33-38-15-7-6-8-16-38)70-56(83)40-23-25-41(64)26-24-40)62(89)71-46(34-39-21-27-42(78)28-22-39)59(86)68-44(18-12-14-32-76(3,4)5)57(84)72-48(35-77)61(88)69-45(29-30-52(80)81)58(85)67-43(55(65)82)17-11-13-31-66-51(79)20-10-9-19-50-54-49(36-91-50)73-63(90)75-54/h6-8,15-16,21-28,37,43-50,53-54,77H,9-14,17-20,29-36H2,1-5H3,(H13-,65,66,67,68,69,70,71,72,73,74,75,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+1/t43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
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n/an/an/a 3.40E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX7 (8 to 62 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))		BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX8 (8 to 61 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive bindi...

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50157400
PNG
(CHEMBL3781600)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C63H89BrN12O14S/c1-37(2)53(74-60(87)47(33-38-15-7-6-8-16-38)70-56(83)40-23-25-41(64)26-24-40)62(89)71-46(34-39-21-27-42(78)28-22-39)59(86)68-44(18-12-14-32-76(3,4)5)57(84)72-48(35-77)61(88)69-45(29-30-52(80)81)58(85)67-43(55(65)82)17-11-13-31-66-51(79)20-10-9-19-50-54-49(36-91-50)73-63(90)75-54/h6-8,15-16,21-28,37,43-50,53-54,77H,9-14,17-20,29-36H2,1-5H3,(H13-,65,66,67,68,69,70,71,72,73,74,75,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+1/t43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
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n/an/an/a 2.40E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to human CBX7 V13A mutant expressed in Escherichia coli BL21 by surface plasmon resonance assay

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50157395
PNG
(CHEMBL3780663)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C61H85BrN12O14S/c1-36(65-58(85)45(32-37-14-6-5-7-15-37)70-55(82)39-22-24-40(62)25-23-39)54(81)69-46(33-38-20-26-41(76)27-21-38)59(86)67-43(17-11-13-31-74(2,3)4)56(83)71-47(34-75)60(87)68-44(28-29-51(78)79)57(84)66-42(53(63)80)16-10-12-30-64-50(77)19-9-8-18-49-52-48(35-89-49)72-61(88)73-52/h5-7,14-15,20-27,36,42-49,52,75H,8-13,16-19,28-35H2,1-4H3,(H13-,63,64,65,66,67,68,69,70,71,72,73,76,77,78,79,80,81,82,83,84,85,86,87,88)/p+1/t36-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
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n/an/an/a 290n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to human CBX7 V13A mutant expressed in Escherichia coli BL21 by surface plasmon resonance assay

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50157400
PNG
(CHEMBL3781600)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C63H89BrN12O14S/c1-37(2)53(74-60(87)47(33-38-15-7-6-8-16-38)70-56(83)40-23-25-41(64)26-24-40)62(89)71-46(34-39-21-27-42(78)28-22-39)59(86)68-44(18-12-14-32-76(3,4)5)57(84)72-48(35-77)61(88)69-45(29-30-52(80)81)58(85)67-43(55(65)82)17-11-13-31-66-51(79)20-10-9-19-50-54-49(36-91-50)73-63(90)75-54/h6-8,15-16,21-28,37,43-50,53-54,77H,9-14,17-20,29-36H2,1-5H3,(H13-,65,66,67,68,69,70,71,72,73,74,75,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+1/t43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
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n/an/an/a 910n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50157395
PNG
(CHEMBL3780663)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Br)cc3)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C61H85BrN12O14S/c1-36(65-58(85)45(32-37-14-6-5-7-15-37)70-55(82)39-22-24-40(62)25-23-39)54(81)69-46(33-38-20-26-41(76)27-21-38)59(86)67-43(17-11-13-31-74(2,3)4)56(83)71-47(34-75)60(87)68-44(28-29-51(78)79)57(84)66-42(53(63)80)16-10-12-30-64-50(77)19-9-8-18-49-52-48(35-89-49)72-61(88)73-52/h5-7,14-15,20-27,36,42-49,52,75H,8-13,16-19,28-35H2,1-4H3,(H13-,63,64,65,66,67,68,69,70,71,72,73,76,77,78,79,80,81,82,83,84,85,86,87,88)/p+1/t36-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
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n/an/an/a 110n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX7 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe ...

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 2


(Homo sapiens (Human))		BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1
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n/an/an/a 300n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX2 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe ...

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1
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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/an/a 300n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))		BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)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(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1S/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/m0/s1
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n/an/an/a 200n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX4 (8 to 65 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive bindi...

ACS Med Chem Lett 7: 139-44 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 94n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal His-tagged CBX4 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC meth...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromodomain Y-like protein


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 910n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal GST-tagged CDYL1b chromodomain (1 to 78 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC me...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal his-tagged CBX8 chromodomain (8 to 61 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC meth...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 5


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to CBX5 chromodomain (unknown origin) by ITC method

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 97n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC meth...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 3


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to CBX3 chromodomain (unknown origin) by ITC method

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromodomain Y-like protein 2


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 850n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal GST-tagged CDYL2 chromodomain (1 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC met...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 610n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal his-tagged CBX6 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC meth...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 2


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 1.80E+3n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal his-tagged CBX2 chromodomain (9 to 66 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC meth...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 1


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to CBX1 chromodomain (unknown origin) by ITC method

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Testis-specific chromodomain protein Y 1


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 6.30E+3n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal GST-tagged CDY1 chromodomain (1 to 101 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC met...

J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 97n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to Cbx4 (unknown origin) by ITC method

Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 97n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to Cbx7 (unknown origin) by ITC method

Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
Chromodomain Y-like protein 2


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 850n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His-tagged CDYL2 (1 to 75 residues) (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells after 30 mins by fluor...

Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
Chromodomain Y-like protein


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 910n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to CDYL1b (unknown origin) after 30 mins by fluorescence polarization assay

Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
Testis-specific chromodomain protein Y 1


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 6.30E+3n/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal GST-tagged CDY1 (1 to 101 residues) (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells after 30 mins by fluor...

Eur J Med Chem 136: 14-35 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G
More data for this
Ligand-Target Pair
Chromodomain Y-like protein


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 5.60E+3n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal GST-tagged CDYL (1 to 60 residues) expressed in Escherichia coli BL2 by SPR analysis

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111656
BindingDB Entry DOI: 10.7270/Q23N26R6
More data for this
Ligand-Target Pair
Chromodomain Y-like protein


(Homo sapiens (Human))		BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1S/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/m0/s1
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n/an/an/a 910n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to CDYL chromodomain (unknown origin) by isothermal titration calorimetry

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111656
BindingDB Entry DOI: 10.7270/Q23N26R6
More data for this
Ligand-Target Pair
Chromobox protein homolog 1


(Homo sapiens (Human))		BDBM50538808
PNG
(CHEMBL4646516)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:13.13,4.3,70.75,wD:8.8,58.63,(35.09,-7.72,;35.09,-9.26,;36.42,-10.04,;33.75,-10.04,;33.75,-11.58,;32.42,-12.34,;31.09,-11.58,;31.09,-10.04,;29.75,-12.34,;29.75,-13.89,;28.42,-11.58,;27.08,-12.34,;27.08,-13.89,;25.74,-11.58,;25.74,-10.04,;27.08,-9.26,;28.42,-10.04,;29.75,-9.27,;29.75,-7.72,;28.41,-6.96,;27.08,-7.73,;24.41,-12.34,;23.07,-11.58,;23.07,-10.04,;21.74,-12.34,;20.41,-11.58,;19.07,-12.34,;17.75,-11.57,;17.75,-10.04,;16.42,-12.34,;15.09,-11.57,;13.77,-12.34,;12.44,-11.57,;12.44,-10.03,;13.78,-9.27,;15.1,-10.04,;13.78,-7.73,;15.11,-6.97,;13.37,-6.24,;11.12,-9.26,;9.8,-10.02,;9.79,-11.55,;8.47,-12.31,;7.13,-11.54,;5.8,-12.3,;7.14,-10.01,;8.47,-9.25,;8.47,-7.71,;9.81,-6.95,;9.81,-5.44,;11.12,-4.68,;11.13,-3.14,;12.45,-5.44,;12.44,-6.97,;11.12,-7.72,;35.09,-12.34,;35.09,-13.89,;36.42,-11.58,;37.76,-12.34,;37.76,-13.89,;39.09,-14.66,;39.09,-16.2,;40.43,-16.97,;40.43,-18.51,;41.76,-19.28,;39.09,-19.28,;40.42,-20.04,;39.09,-11.58,;39.09,-10.04,;40.43,-12.34,;41.76,-11.58,;41.76,-10.04,;43.09,-9.26,;43.09,-12.34,;44.43,-11.58,;43.09,-13.89,)|
Show InChI InChI=1S/C54H67N9O12S/c1-30(2)24-41(52(72)60-40(14-10-11-23-63(4,5)6)50(70)62-43(29-64)48(55)68)61-49(69)31(3)57-51(71)42(25-32-12-8-7-9-13-32)59-46(67)21-22-56-54(76)58-33-15-18-36(39(26-33)53(73)74)47-37-19-16-34(65)27-44(37)75-45-28-35(66)17-20-38(45)47/h7-9,12-13,15-20,26-28,30-31,40-43,64H,10-11,14,21-25,29H2,1-6H3,(H10-,55,56,57,58,59,60,61,62,65,66,67,68,69,70,71,72,73,74,76)/p+1/t31-,40-,41-,42-,43-/m0/s1
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n/an/an/a 2.50E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX1 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
Chromobox protein homolog 1


(Homo sapiens (Human))		BDBM50538809
PNG
(CHEMBL4637043)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:13.13,4.3,81.87,wD:8.8,69.75,24.25,(37.52,-27.88,;37.52,-29.42,;38.86,-30.2,;36.18,-30.2,;36.18,-31.75,;34.84,-32.51,;33.5,-31.75,;33.5,-30.2,;32.16,-32.51,;32.16,-34.06,;30.82,-31.75,;29.48,-32.51,;29.48,-34.06,;28.14,-31.75,;28.14,-30.2,;29.48,-29.42,;30.82,-30.2,;32.16,-29.43,;32.16,-27.88,;30.81,-27.11,;29.48,-27.88,;26.8,-32.51,;25.46,-31.75,;25.46,-30.2,;24.12,-32.51,;24.12,-34.05,;25.45,-34.82,;25.44,-36.36,;26.77,-37.13,;28.11,-36.37,;28.11,-34.82,;26.78,-34.06,;22.79,-31.75,;21.46,-32.51,;21.46,-34.05,;20.13,-31.75,;18.79,-32.51,;17.46,-31.75,;16.13,-32.51,;16.13,-34.05,;14.8,-31.75,;13.47,-32.51,;13.47,-34.04,;12.14,-34.82,;10.8,-34.05,;10.8,-32.51,;12.13,-31.74,;9.47,-31.74,;9.47,-30.2,;8.69,-33.06,;9.47,-34.82,;9.48,-36.36,;10.8,-37.13,;10.81,-38.66,;9.47,-39.44,;9.47,-40.97,;8.14,-38.66,;8.14,-37.13,;6.8,-36.33,;6.81,-34.82,;5.49,-34.06,;5.49,-32.54,;4.15,-31.78,;6.81,-31.77,;8.13,-32.53,;8.13,-34.06,;37.52,-32.51,;37.52,-34.06,;38.86,-31.75,;40.2,-32.51,;40.2,-34.06,;41.54,-34.84,;41.54,-36.38,;42.88,-37.15,;42.88,-38.7,;44.22,-39.48,;41.54,-39.48,;42.86,-40.24,;41.54,-31.75,;41.54,-30.2,;42.88,-32.51,;44.22,-31.75,;44.22,-30.2,;45.55,-29.42,;45.55,-32.51,;46.89,-31.75,;45.55,-34.06,)|
Show InChI InChI=1S/C63H76N10O13S/c1-36(2)29-48(60(82)69-47(19-13-14-28-73(4,5)6)58(80)72-51(35-74)56(64)78)70-57(79)37(3)66-59(81)50(31-39-17-11-8-12-18-39)71-61(83)49(30-38-15-9-7-10-16-38)68-54(77)26-27-65-63(87)67-40-20-23-43(46(32-40)62(84)85)55-44-24-21-41(75)33-52(44)86-53-34-42(76)22-25-45(53)55/h7-12,15-18,20-25,32-34,36-37,47-51,74H,13-14,19,26-31,35H2,1-6H3,(H11-,64,65,66,67,68,69,70,71,72,75,76,77,78,79,80,81,82,83,84,85,87)/p+1/t37-,47-,48-,49-,50-,51-/m0/s1
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n/an/an/a 4.70E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX1 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115176
BindingDB Entry DOI: 10.7270/Q26W9FM9
More data for this
Ligand-Target Pair
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