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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 8' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 8


(Homo sapiens)
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
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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PubMed
n/an/an/a 1.42E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
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
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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PubMed
n/an/an/a 1.23E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
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
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/an/a 1.50E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
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
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/an/a 1.50E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
BDBM50009526
PNG
(CHEMBL3234440)
Show SMILES C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO
Show InChI InChI=1S/C30H49N5O6/c1-21(31-26(38)18-22-12-6-5-7-13-22)28(39)34-27(23-14-8-9-15-23)30(41)33-25(16-10-11-17-35(2,3)4)29(40)32-24(19-36)20-37/h5-7,12-13,21,23-25,27,36-37H,8-11,14-20H2,1-4H3,(H3-,31,32,33,34,38,39,40,41)/p+1/t21-,25-,27-/m0/s1
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PubMed
n/an/an/a 1.50E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
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
Show InChI InChI=1/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-/s2
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PubMed
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)

More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
BDBM50009554
PNG
(CHEMBL3234442)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)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
Show InChI InChI=1S/C40H57N7O9/c1-25(42-38(53)31(23-26-13-7-6-8-14-26)44-36(51)28-18-20-29(21-19-28)40(55)56-5)35(50)46-33(27-15-9-10-16-27)39(54)43-30(17-11-12-22-47(2,3)4)37(52)45-32(24-48)34(41)49/h6-8,13-14,18-21,25,27,30-33,48H,9-12,15-17,22-24H2,1-5H3,(H6-,41,42,43,44,45,46,49,50,51,52,53,54)/p+1/t25-,30-,31-,32+,33-/m0/s1
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PubMed
n/an/an/a 1.78E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
BDBM50009555
PNG
(CHEMBL3234443)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO
Show InChI InChI=1S/C40H58N6O9/c1-26(41-38(52)33(23-27-13-7-6-8-14-27)44-36(50)29-18-20-30(21-19-29)40(54)55-5)35(49)45-34(28-15-9-10-16-28)39(53)43-32(17-11-12-22-46(2,3)4)37(51)42-31(24-47)25-48/h6-8,13-14,18-21,26,28,31-34,47-48H,9-12,15-17,22-25H2,1-5H3,(H4-,41,42,43,44,45,49,50,51,52,53)/p+1/t26-,32-,33-,34-/m0/s1
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PubMed
n/an/an/a 1.89E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
BDBM50155932
PNG
(CHEMBL3780489)
Show SMILES CC(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
Show InChI InChI=1/C74H86BrN11O17S/c1-41(2)64(85-70(98)58(35-42-13-7-6-8-14-42)82-66(94)44-19-21-45(75)22-20-44)72(100)83-57(36-43-17-24-47(88)25-18-43)69(97)80-55(16-10-12-34-86(3,4)5)67(95)84-59(40-87)71(99)81-56(31-32-62(91)92)68(96)79-54(65(76)93)15-9-11-33-77-74(104)78-46-23-28-50(53(37-46)73(101)102)63-51-29-26-48(89)38-60(51)103-61-39-49(90)27-30-52(61)63/h6-8,13-14,17-30,37-39,41,54-59,64,87H,9-12,15-16,31-36,40H2,1-5H3,(H14-,76,77,78,79,80,81,82,83,84,85,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,104)/p+1/t54-,55-,56-,57-,58-,59-,64-/s2
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PubMed
n/an/an/a 6.00E+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)

More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
BDBM50155893
PNG
(CHEMBL3780712)
Show SMILES CC[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
Show InChI InChI=1/C73H84BrN11O17S/c1-5-53(78-69(97)57(35-41-13-7-6-8-14-41)82-65(93)43-19-21-44(74)22-20-43)66(94)83-58(36-42-17-24-46(87)25-18-42)70(98)80-55(16-10-12-34-85(2,3)4)67(95)84-59(40-86)71(99)81-56(31-32-62(90)91)68(96)79-54(64(75)92)15-9-11-33-76-73(103)77-45-23-28-49(52(37-45)72(100)101)63-50-29-26-47(88)38-60(50)102-61-39-48(89)27-30-51(61)63/h6-8,13-14,17-30,37-39,53-59,86H,5,9-12,15-16,31-36,40H2,1-4H3,(H14-,75,76,77,78,79,80,81,82,83,84,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,103)/p+1/t53-,54-,55-,56-,57-,58-,59-/s2
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PubMed
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)

More data for this
Ligand-Target Pair
Chromobox protein homolog 8


(Homo sapiens)
BDBM50009553
PNG
(CHEMBL3234441)
Show SMILES C[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)NCC[NH3+]
Show InChI InChI=1S/C37H54BrN7O5/c1-25(41-36(49)31(24-26-12-6-5-7-13-26)43-34(47)28-17-19-29(38)20-18-28)33(46)44-32(27-14-8-9-15-27)37(50)42-30(35(48)40-22-21-39)16-10-11-23-45(2,3)4/h5-7,12-13,17-20,25,27,30-32H,8-11,14-16,21-24,39H2,1-4H3,(H4-,40,41,42,43,44,46,47,48,49,50)/p+2/t25-,30-,31-,32-/m0/s1
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PubMed
n/an/an/a 480n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay


Citation and Details
More data for this
Ligand-Target Pair