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Compile Data Set for Download or QSAR

Found 1259 hits with Last Name = 'norris' and Initial = 'jl'   
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
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50323813
PNG
(7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50323813
PNG
(7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a 23n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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n/an/a 27n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194448
PNG
(CHEMBL3972289)
Show SMILES CCCN(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)C(C)C
Show InChI InChI=1S/C45H70N6O8/c1-11-24-51(30(4)5)25-16-15-19-35(41(55)50-38(28-52)44(58)59-10)47-43(57)36(26-29(2)3)48-39(53)31(6)46-42(56)37(27-32-17-13-12-14-18-32)49-40(54)33-20-22-34(23-21-33)45(7,8)9/h12-14,17-18,20-23,29-31,35-38,52H,11,15-16,19,24-28H2,1-10H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t31-,35-,36-,37-,38-/m0/s1
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n/an/a 32n/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
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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n/an/a 34n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194466
PNG
(CHEMBL3958557)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)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
Show InChI InChI=1S/C42H64N6O8/c1-27(2)24-33(40(54)44-32(18-14-15-23-48(7,8)9)38(52)47-35(26-49)41(55)56-10)45-36(50)28(3)43-39(53)34(25-29-16-12-11-13-17-29)46-37(51)30-19-21-31(22-20-30)42(4,5)6/h11-13,16-17,19-22,27-28,32-35,49H,14-15,18,23-26H2,1-10H3,(H4-,43,44,45,46,47,50,51,52,53,54)/p+1/t28-,32-,33-,34-,35-/m0/s1
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n/an/a 35n/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
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194475
PNG
(CHEMBL3889586)
Show SMILES CCN(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)C(C)C
Show InChI InChI=1S/C44H68N6O8/c1-11-50(29(4)5)24-16-15-19-34(40(54)49-37(27-51)43(57)58-10)46-42(56)35(25-28(2)3)47-38(52)30(6)45-41(55)36(26-31-17-13-12-14-18-31)48-39(53)32-20-22-33(23-21-32)44(7,8)9/h12-14,17-18,20-23,28-30,34-37,51H,11,15-16,19,24-27H2,1-10H3,(H,45,55)(H,46,56)(H,47,52)(H,48,53)(H,49,54)/t30-,34-,35-,36-,37-/m0/s1
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n/an/a 35n/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
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
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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440613
PNG
(CHEMBL2426365)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(NCc2ccccc2)c1
Show InChI InChI=1S/C33H45N5O2/c39-32(37-20-12-28(13-21-37)35-16-4-5-17-35)27-10-11-30(31(24-27)34-25-26-8-2-1-3-9-26)33(40)38-22-14-29(15-23-38)36-18-6-7-19-36/h1-3,8-11,24,28-29,34H,4-7,12-23,25H2
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n/an/a 39n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440563
PNG
(CHEMBL2426360)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c2ccccc12
Show InChI InChI=1S/C30H40N4O2/c35-29(33-19-11-23(12-20-33)31-15-3-4-16-31)27-9-10-28(26-8-2-1-7-25(26)27)30(36)34-21-13-24(14-22-34)32-17-5-6-18-32/h1-2,7-10,23-24H,3-6,11-22H2
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n/an/a 43n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194476
PNG
(CHEMBL3942693)
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)N(C)C
Show InChI InChI=1S/C44H69N7O7/c1-11-51(12-2)25-17-16-20-34(40(55)49-37(28-52)43(58)50(9)10)46-42(57)35(26-29(3)4)47-38(53)30(5)45-41(56)36(27-31-18-14-13-15-19-31)48-39(54)32-21-23-33(24-22-32)44(6,7)8/h13-15,18-19,21-24,29-30,34-37,52H,11-12,16-17,20,25-28H2,1-10H3,(H,45,56)(H,46,57)(H,47,53)(H,48,54)(H,49,55)/t30-,34-,35-,36-,37-/m0/s1
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n/an/a 47n/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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440612
PNG
(CHEMBL2426366)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C33H44N4O2/c38-32(36-20-12-29(13-21-36)34-16-4-5-17-34)27-10-11-31(28(25-27)24-26-8-2-1-3-9-26)33(39)37-22-14-30(15-23-37)35-18-6-7-19-35/h1-3,8-11,25,29-30H,4-7,12-24H2
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n/an/a 48n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440603
PNG
(CHEMBL2426498)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-23(10-18-29)27-13-1-2-14-27)21-5-7-22(8-6-21)26(32)30-19-11-24(12-20-30)28-15-3-4-16-28/h5-8,23-24H,1-4,9-20H2
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n/an/a 48n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440614
PNG
(CHEMBL2426364)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1
Show InChI InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
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n/an/a 49n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 50n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440613
PNG
(CHEMBL2426365)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(NCc2ccccc2)c1
Show InChI InChI=1S/C33H45N5O2/c39-32(37-20-12-28(13-21-37)35-16-4-5-17-35)27-10-11-30(31(24-27)34-25-26-8-2-1-3-9-26)33(40)38-22-14-29(15-23-38)36-18-6-7-19-36/h1-3,8-11,24,28-29,34H,4-7,12-23,25H2
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n/an/a 50n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440612
PNG
(CHEMBL2426366)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C33H44N4O2/c38-32(36-20-12-29(13-21-36)34-16-4-5-17-34)27-10-11-31(28(25-27)24-26-8-2-1-3-9-26)33(39)37-22-14-30(15-23-37)35-18-6-7-19-35/h1-3,8-11,25,29-30H,4-7,12-24H2
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n/an/a 51n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440611
PNG
(CHEMBL2426367)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C32H42N4O3/c37-31(35-20-12-26(13-21-35)33-16-4-5-17-33)25-10-11-29(30(24-25)39-28-8-2-1-3-9-28)32(38)36-22-14-27(15-23-36)34-18-6-7-19-34/h1-3,8-11,24,26-27H,4-7,12-23H2
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n/an/a 53n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194477
PNG
(CHEMBL3916023)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C49H77N7O10/c1-13-56(14-2)26-16-15-17-37(43(60)55-40(30-57)46(63)65-12)52-45(62)38(27-31(3)4)53-41(58)32(5)51-44(61)39(54-42(59)35-22-24-36(25-23-35)48(6,7)8)28-33-18-20-34(21-19-33)29-50-47(64)66-49(9,10)11/h18-25,31-32,37-40,57H,13-17,26-30H2,1-12H3,(H,50,64)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,55,60)/t32-,37-,38-,39-,40-/m0/s1
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n/an/a 56n/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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440611
PNG
(CHEMBL2426367)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C32H42N4O3/c37-31(35-20-12-26(13-21-35)33-16-4-5-17-33)25-10-11-29(30(24-25)39-28-8-2-1-3-9-28)32(38)36-22-14-27(15-23-36)34-18-6-7-19-34/h1-3,8-11,24,26-27H,4-7,12-23H2
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n/an/a 58n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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n/an/a 58n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Activity at methyl transferase activity GLP by chemiluminescence based oxygen tunneling assay


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440610
PNG
(CHEMBL2426368)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H42N4O2/c37-31(35-20-12-27(13-21-35)33-16-4-5-17-33)26-10-11-29(30(24-26)25-8-2-1-3-9-25)32(38)36-22-14-28(15-23-36)34-18-6-7-19-34/h1-3,8-11,24,27-28H,4-7,12-23H2
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n/an/a 61n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440569
PNG
(CHEMBL2424678)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(nc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H37N5O2/c31-24(29-15-7-21(8-16-29)27-11-1-2-12-27)20-5-6-23(26-19-20)25(32)30-17-9-22(10-18-30)28-13-3-4-14-28/h5-6,19,21-22H,1-4,7-18H2
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n/an/a 61n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194258
PNG
(CHEMBL3934881)
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(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C42H64N6O8/c1-9-48(10-2)23-15-14-18-33(39(52)47-36(26-49)42(55)56-8)44-41(54)34(24-27(3)4)45-37(50)29(7)43-40(53)35(25-30-16-12-11-13-17-30)46-38(51)32-21-19-31(20-22-32)28(5)6/h11-13,16-17,19-22,27-29,33-36,49H,9-10,14-15,18,23-26H2,1-8H3,(H,43,53)(H,44,54)(H,45,50)(H,46,51)(H,47,52)/t29-,33-,34-,35-,36-/m0/s1
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n/an/a 61n/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))
BDBM50194448
PNG
(CHEMBL3972289)
Show SMILES CCCN(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)C(C)C
Show InChI InChI=1S/C45H70N6O8/c1-11-24-51(30(4)5)25-16-15-19-35(41(55)50-38(28-52)44(58)59-10)47-43(57)36(26-29(2)3)48-39(53)31(6)46-42(56)37(27-32-17-13-12-14-18-32)49-40(54)33-20-22-34(23-21-33)45(7,8)9/h12-14,17-18,20-23,29-31,35-38,52H,11,15-16,19,24-28H2,1-10H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t31-,35-,36-,37-,38-/m0/s1
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n/an/a 62n/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
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194458
PNG
(CHEMBL3987134)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C44H69N7O8/c1-10-51(11-2)23-13-12-14-34(40(55)50-37(27-52)43(58)59-9)47-42(57)35(24-28(3)4)48-38(53)29(5)46-41(56)36(25-30-15-17-31(26-45)18-16-30)49-39(54)32-19-21-33(22-20-32)44(6,7)8/h15-22,28-29,34-37,52H,10-14,23-27,45H2,1-9H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t29-,34-,35-,36-,37-/m0/s1
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n/an/a 63n/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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440614
PNG
(CHEMBL2426364)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1
Show InChI InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2
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n/an/a 64n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440610
PNG
(CHEMBL2426368)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H42N4O2/c37-31(35-20-12-27(13-21-35)33-16-4-5-17-33)26-10-11-29(30(24-26)25-8-2-1-3-9-25)32(38)36-22-14-28(15-23-36)34-18-6-7-19-34/h1-3,8-11,24,27-28H,4-7,12-23H2
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n/an/a 66n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440560
PNG
(CHEMBL2426363)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(s1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H36N4O2S/c29-23(27-15-7-19(8-16-27)25-11-1-2-12-25)21-5-6-22(31-21)24(30)28-17-9-20(10-18-28)26-13-3-4-14-26/h5-6,19-20H,1-4,7-18H2
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n/an/a 68n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440603
PNG
(CHEMBL2426498)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-17-9-23(10-18-29)27-13-1-2-14-27)21-5-7-22(8-6-21)26(32)30-19-11-24(12-20-30)28-15-3-4-16-28/h5-8,23-24H,1-4,9-20H2
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n/an/a 71n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440563
PNG
(CHEMBL2426360)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c2ccccc12
Show InChI InChI=1S/C30H40N4O2/c35-29(33-19-11-23(12-20-33)31-15-3-4-16-31)27-9-10-28(26-8-2-1-7-25(26)27)30(36)34-21-13-24(14-22-34)32-17-5-6-18-32/h1-2,7-10,23-24H,3-6,11-22H2
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n/an/a 72n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440568
PNG
(CHEMBL2426476)
Show SMILES Brc1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H37BrN4O2/c27-24-19-20(25(32)30-15-7-21(8-16-30)28-11-1-2-12-28)5-6-23(24)26(33)31-17-9-22(10-18-31)29-13-3-4-14-29/h5-6,19,21-22H,1-4,7-18H2
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n/an/a 74n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440585
PNG
(CHEMBL2426496)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CCCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H40N4O2/c32-26(30-18-5-6-24(11-19-30)28-14-1-2-15-28)22-7-9-23(10-8-22)27(33)31-20-12-25(13-21-31)29-16-3-4-17-29/h7-10,24-25H,1-6,11-21H2
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n/an/a 74n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194457
PNG
(CHEMBL3969494)
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)NCCO
Show InChI InChI=1S/C41H64N6O6/c1-9-47(10-2)24-15-14-18-33(38(51)42-23-25-48)44-40(53)34(26-28(3)4)45-36(49)29(5)43-39(52)35(27-30-16-12-11-13-17-30)46-37(50)31-19-21-32(22-20-31)41(6,7)8/h11-13,16-17,19-22,28-29,33-35,48H,9-10,14-15,18,23-27H2,1-8H3,(H,42,51)(H,43,52)(H,44,53)(H,45,49)(H,46,50)/t29-,33-,34-,35-/m0/s1
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n/an/a 75n/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))
BDBM50194466
PNG
(CHEMBL3958557)
Show SMILES COC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)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
Show InChI InChI=1S/C42H64N6O8/c1-27(2)24-33(40(54)44-32(18-14-15-23-48(7,8)9)38(52)47-35(26-49)41(55)56-10)45-36(50)28(3)43-39(53)34(25-29-16-12-11-13-17-29)46-37(51)30-19-21-31(22-20-30)42(4,5)6/h11-13,16-17,19-22,27-28,32-35,49H,14-15,18,23-26H2,1-10H3,(H4-,43,44,45,46,47,50,51,52,53,54)/p+1/t28-,32-,33-,34-,35-/m0/s1
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n/an/a 75n/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))
BDBM50194458
PNG
(CHEMBL3987134)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CN)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C44H69N7O8/c1-10-51(11-2)23-13-12-14-34(40(55)50-37(27-52)43(58)59-9)47-42(57)35(24-28(3)4)48-38(53)29(5)46-41(56)36(25-30-15-17-31(26-45)18-16-30)49-39(54)32-19-21-33(22-20-32)44(6,7)8/h15-22,28-29,34-37,52H,10-14,23-27,45H2,1-9H3,(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)/t29-,34-,35-,36-,37-/m0/s1
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n/an/a 75n/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
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194475
PNG
(CHEMBL3889586)
Show SMILES CCN(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)C(C)C
Show InChI InChI=1S/C44H68N6O8/c1-11-50(29(4)5)24-16-15-19-34(40(54)49-37(27-51)43(57)58-10)46-42(56)35(25-28(2)3)47-38(52)30(6)45-41(55)36(26-31-17-13-12-14-18-31)48-39(53)32-20-22-33(23-21-32)44(7,8)9/h12-14,17-18,20-23,28-30,34-37,51H,11,15-16,19,24-27H2,1-10H3,(H,45,55)(H,46,56)(H,47,52)(H,48,53)(H,49,54)/t30-,34-,35-,36-,37-/m0/s1
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n/an/a 75n/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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440592
PNG
(CHEMBL2426489)
Show SMILES C[N+]1(CCCC1)C1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H41N4O2/c1-31(20-4-5-21-31)25-12-18-30(19-13-25)27(33)23-8-6-22(7-9-23)26(32)29-16-10-24(11-17-29)28-14-2-3-15-28/h6-9,24-25H,2-5,10-21H2,1H3/q+1
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n/an/a 81n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50194474
PNG
(CHEMBL3953637)
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(CC)cc1)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C41H62N6O8/c1-8-29-19-21-31(22-20-29)37(50)45-34(25-30-16-12-11-13-17-30)39(52)42-28(6)36(49)44-33(24-27(4)5)40(53)43-32(18-14-15-23-47(9-2)10-3)38(51)46-35(26-48)41(54)55-7/h11-13,16-17,19-22,27-28,32-35,48H,8-10,14-15,18,23-26H2,1-7H3,(H,42,52)(H,43,53)(H,44,49)(H,45,50)(H,46,51)/t28-,32-,33-,34-,35-/m0/s1
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n/an/a 81n/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
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))
BDBM50194447
PNG
(CHEMBL3978944)
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)Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C44H62N6O8/c1-7-50(8-2)23-15-14-20-35(41(54)49-38(28-51)44(57)58-6)47-43(56)36(24-29(3)4)48-40(53)30(5)45-42(55)37(26-31-16-10-9-11-17-31)46-39(52)27-32-21-22-33-18-12-13-19-34(33)25-32/h9-13,16-19,21-22,25,29-30,35-38,51H,7-8,14-15,20,23-24,26-28H2,1-6H3,(H,45,55)(H,46,52)(H,47,56)(H,48,53)(H,49,54)/t30-,35-,36-,37-,38-/m0/s1
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n/an/a 84n/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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440567
PNG
(CHEMBL2426477)
Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)N1CCC(CC1)N1CCCC1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H37N5O4/c32-25(29-15-7-21(8-16-29)27-11-1-2-12-27)20-5-6-23(24(19-20)31(34)35)26(33)30-17-9-22(10-18-30)28-13-3-4-14-28/h5-6,19,21-22H,1-4,7-18H2
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n/an/a 88n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440586
PNG
(CHEMBL2426495)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CC2CCC(C1)C2N1CCCC1
Show InChI InChI=1S/C28H40N4O2/c33-27(31-17-11-25(12-18-31)29-13-1-2-14-29)21-5-7-22(8-6-21)28(34)32-19-23-9-10-24(20-32)26(23)30-15-3-4-16-30/h5-8,23-26H,1-4,9-20H2
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n/an/a 92n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440591
PNG
(CHEMBL2426490)
Show SMILES O=C(N1CCC(CC1)C1CCCN1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C26H38N4O2/c31-25(29-16-9-20(10-17-29)24-4-3-13-27-24)21-5-7-22(8-6-21)26(32)30-18-11-23(12-19-30)28-14-1-2-15-28/h5-8,20,23-24,27H,1-4,9-19H2
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n/an/a 92n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440585
PNG
(CHEMBL2426496)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CCCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H40N4O2/c32-26(30-18-5-6-24(11-19-30)28-14-1-2-15-28)22-7-9-23(10-8-22)27(33)31-20-12-25(13-21-31)29-16-3-4-17-29/h7-10,24-25H,1-6,11-21H2
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n/an/a 96n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440560
PNG
(CHEMBL2426363)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(s1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H36N4O2S/c29-23(27-15-7-19(8-16-27)25-11-1-2-12-25)21-5-6-22(31-21)24(30)28-17-9-20(10-18-28)26-13-3-4-14-26/h5-6,19-20H,1-4,7-18H2
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n/an/a 96n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440600
PNG
(CHEMBL2426481)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H38N4O3S/c30-25(28-17-9-22(10-18-28)26-13-1-2-14-26)21-5-7-24(8-6-21)33(31,32)29-19-11-23(12-20-29)27-15-3-4-16-27/h5-8,22-23H,1-4,9-20H2
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n/an/a 97n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
E3 SUMO-protein ligase CBX4


(Homo sapiens (Human))
BDBM50194477
PNG
(CHEMBL3916023)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C49H77N7O10/c1-13-56(14-2)26-16-15-17-37(43(60)55-40(30-57)46(63)65-12)52-45(62)38(27-31(3)4)53-41(58)32(5)51-44(61)39(54-42(59)35-22-24-36(25-23-35)48(6,7)8)28-33-18-20-34(21-19-33)29-50-47(64)66-49(9,10)11/h18-25,31-32,37-40,57H,13-17,26-30H2,1-12H3,(H,50,64)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,55,60)/t32-,37-,38-,39-,40-/m0/s1
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n/an/a 98n/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
Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)


(Homo sapiens (Human))
BDBM50440600
PNG
(CHEMBL2426481)
Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C25H38N4O3S/c30-25(28-17-9-22(10-18-28)26-13-1-2-14-26)21-5-7-24(8-6-21)33(31,32)29-19-11-23(12-20-29)27-15-3-4-16-27/h5-8,22-23H,1-4,9-20H2
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n/an/a 99n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay


J Med Chem 56: 7358-71 (2013)


Article DOI: 10.1021/jm400919p
BindingDB Entry DOI: 10.7270/Q2B27WRP
More data for this
Ligand-Target Pair
Chromodomain Y-like protein 2


(Homo sapiens (Human))
BDBM50194258
PNG
(CHEMBL3934881)
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(=O)N[C@@H](CO)C(=O)OC
Show InChI InChI=1S/C42H64N6O8/c1-9-48(10-2)23-15-14-18-33(39(52)47-36(26-49)42(55)56-8)44-41(54)34(24-27(3)4)45-37(50)29(7)43-40(53)35(25-30-16-12-11-13-17-30)46-38(51)32-21-19-31(20-22-32)28(5)6/h11-13,16-17,19-22,27-29,33-36,49H,9-10,14-15,18,23-26H2,1-8H3,(H,43,53)(H,44,54)(H,45,50)(H,46,51)(H,47,52)/t29-,33-,34-,35-,36-/m0/s1
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n/an/a 100n/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
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