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Compile Data Set for Download or QSAR

Found 213 hits Enz. Inhib. hit(s) with all data for entry = 50006055   
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
Lethal(3)malignant brain tumor-like protein 3


(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 24n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496581
PNG
(CHEMBL3134130)
Show SMILES Clc1cc(ccc1CCN1CCCC1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C21H32ClN3/c22-21-17-20(6-5-18(21)7-14-23-10-1-2-11-23)25-15-8-19(9-16-25)24-12-3-4-13-24/h5-6,17,19H,1-4,7-16H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496591
PNG
(CHEMBL3134144)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCC1
Show InChI InChI=1S/C20H31N3/c1-2-14-22(13-1)20-9-16-23(17-10-20)19-6-4-18(5-7-19)8-15-21-11-3-12-21/h4-7,20H,1-3,8-17H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496584
PNG
(CHEMBL3134146)
Show SMILES OCC1(CO)CN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C22H35N3O2/c26-17-22(18-27)15-23(16-22)12-7-19-3-5-20(6-4-19)25-13-8-21(9-14-25)24-10-1-2-11-24/h3-6,21,26-27H,1-2,7-18H2
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n/an/a 59n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496593
PNG
(CHEMBL3134131)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496596
PNG
(CHEMBL3134134)
Show SMILES C(CN1CCCC1)Cc1ccc(cc1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C22H35N3/c1-2-14-23(13-1)15-5-6-20-7-9-21(10-8-20)25-18-11-22(12-19-25)24-16-3-4-17-24/h7-10,22H,1-6,11-19H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496589
PNG
(CHEMBL3134126)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCCC1
Show InChI InChI=1S/C22H35N3/c1-2-13-23(14-3-1)17-10-20-6-8-21(9-7-20)25-18-11-22(12-19-25)24-15-4-5-16-24/h6-9,22H,1-5,10-19H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496583
PNG
(CHEMBL3134125)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCCCC1
Show InChI InChI=1S/C23H37N3/c1-2-4-15-24(14-3-1)18-11-21-7-9-22(10-8-21)26-19-12-23(13-20-26)25-16-5-6-17-25/h7-10,23H,1-6,11-20H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496592
PNG
(CHEMBL3134135)
Show SMILES C(Cc1cccc(c1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C21H33N3/c1-2-12-22(11-1)15-8-19-6-5-7-21(18-19)24-16-9-20(10-17-24)23-13-3-4-14-23/h5-7,18,20H,1-4,8-17H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496599
PNG
(CHEMBL3134136)
Show SMILES C(N1CCCC1)c1cccc(c1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C20H31N3/c1-2-11-21(10-1)17-18-6-5-7-20(16-18)23-14-8-19(9-15-23)22-12-3-4-13-22/h5-7,16,19H,1-4,8-15,17H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496597
PNG
(CHEMBL3134129)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CC2(COC2)C1
Show InChI InChI=1S/C22H33N3O/c1-2-11-24(10-1)21-8-13-25(14-9-21)20-5-3-19(4-6-20)7-12-23-15-22(16-23)17-26-18-22/h3-6,21H,1-2,7-18H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496598
PNG
(CHEMBL3134140)
Show SMILES C1CCN(C1)C1CCN(CC1)c1ccc(cc1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C24H38N4/c1-2-14-25(13-1)23-9-17-27(18-10-23)21-5-7-22(8-6-21)28-19-11-24(12-20-28)26-15-3-4-16-26/h5-8,23-24H,1-4,9-20H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496579
PNG
(CHEMBL3134133)
Show SMILES C(N1CCCC1)c1ccc(cc1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C20H31N3/c1-2-12-21(11-1)17-18-5-7-19(8-6-18)23-15-9-20(10-16-23)22-13-3-4-14-22/h5-8,20H,1-4,9-17H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496586
PNG
(CHEMBL3134142)
Show SMILES N#CC1CCN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C22H32N4/c23-17-20-8-14-24(18-20)13-7-19-3-5-21(6-4-19)26-15-9-22(10-16-26)25-11-1-2-12-25/h3-6,20,22H,1-2,7-16,18H2
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n/an/a 360n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496585
PNG
(CHEMBL3134143)
Show SMILES O=C1CCN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C21H31N3O/c25-21-10-14-22(17-21)13-7-18-3-5-19(6-4-18)24-15-8-20(9-16-24)23-11-1-2-12-23/h3-6,20H,1-2,7-17H2
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n/an/a 390n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496580
PNG
(CHEMBL3134132)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCCC1)N1CCCC1
Show InChI InChI=1S/C22H35N3/c1-2-15-24(16-3-1)22-11-18-25(19-12-22)21-8-6-20(7-9-21)10-17-23-13-4-5-14-23/h6-9,22H,1-5,10-19H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496582
PNG
(CHEMBL3134128)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCC2(C1)OCCO2
Show InChI InChI=1S/C23H35N3O2/c1-2-12-25(11-1)22-8-14-26(15-9-22)21-5-3-20(4-6-21)7-13-24-16-10-23(19-24)27-17-18-28-23/h3-6,22H,1-2,7-19H2
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496588
PNG
(CHEMBL3134127)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCOCC1
Show InChI InChI=1S/C21H33N3O/c1-2-11-23(10-1)21-8-13-24(14-9-21)20-5-3-19(4-6-20)7-12-22-15-17-25-18-16-22/h3-6,21H,1-2,7-18H2
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n/an/a 850n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496590
PNG
(CHEMBL3134145)
Show SMILES FC1(F)CN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C20H29F2N3/c21-20(22)15-23(16-20)12-7-17-3-5-18(6-4-17)25-13-8-19(9-14-25)24-10-1-2-11-24/h3-6,19H,1-2,7-16H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496595
PNG
(CHEMBL3134137)
Show SMILES C(Cc1ccc(CN2CCCC2)cc1)N1CCCC1
Show InChI InChI=1S/C17H26N2/c1-2-11-18(10-1)14-9-16-5-7-17(8-6-16)15-19-12-3-4-13-19/h5-8H,1-4,9-15H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496594
PNG
(CHEMBL3134139)
Show SMILES O=C(N1CCCC1)c1cccc(c1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C20H29N3O/c24-20(23-12-3-4-13-23)17-6-5-7-19(16-17)22-14-8-18(9-15-22)21-10-1-2-11-21/h5-7,16,18H,1-4,8-15H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496587
PNG
(CHEMBL3134138)
Show SMILES O=C(CCc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C22H33N3O/c26-22(25-15-3-4-16-25)10-7-19-5-8-20(9-6-19)24-17-11-21(12-18-24)23-13-1-2-14-23/h5-6,8-9,21H,1-4,7,10-18H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50440571
PNG
(CHEMBL2426474)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C28H42N4O2/c33-27(31-19-11-25(12-20-31)29-15-3-1-4-16-29)23-7-9-24(10-8-23)28(34)32-21-13-26(14-22-32)30-17-5-2-6-18-30/h7-10,25-26H,1-6,11-22H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1


(Homo sapiens)
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 8.90E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lethal(3)malignant brain tumor-like protein 1


(Homo sapiens)
BDBM50496596
PNG
(CHEMBL3134134)
Show SMILES C(CN1CCCC1)Cc1ccc(cc1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C22H35N3/c1-2-14-23(13-1)15-5-6-20-7-9-21(10-8-20)25-18-11-22(12-19-25)24-16-3-4-17-24/h7-10,22H,1-6,11-19H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50496600
PNG
(CHEMBL3134141)
Show SMILES C1CCN(C1)C1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C15H22N2/c1-2-6-14(7-3-1)17-12-8-15(9-13-17)16-10-4-5-11-16/h1-3,6-7,15H,4-5,8-13H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(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 1.37E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1


(Homo sapiens)
BDBM50496593
PNG
(CHEMBL3134131)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496593
PNG
(CHEMBL3134131)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496585
PNG
(CHEMBL3134143)
Show SMILES O=C1CCN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C21H31N3O/c25-21-10-14-22(17-21)13-7-18-3-5-19(6-4-18)24-15-8-20(9-16-24)23-11-1-2-12-23/h3-6,20H,1-2,7-17H2
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n/an/a 1.84E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496599
PNG
(CHEMBL3134136)
Show SMILES C(N1CCCC1)c1cccc(c1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C20H31N3/c1-2-11-21(10-1)17-18-6-5-7-20(16-18)23-14-8-19(9-15-23)22-12-3-4-13-22/h5-7,16,19H,1-4,8-15,17H2
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n/an/a 1.94E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496581
PNG
(CHEMBL3134130)
Show SMILES Clc1cc(ccc1CCN1CCCC1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C21H32ClN3/c22-21-17-20(6-5-18(21)7-14-23-10-1-2-11-23)25-15-8-19(9-16-25)24-12-3-4-13-24/h5-6,17,19H,1-4,7-16H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1


(Homo sapiens)
BDBM50496581
PNG
(CHEMBL3134130)
Show SMILES Clc1cc(ccc1CCN1CCCC1)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C21H32ClN3/c22-21-17-20(6-5-18(21)7-14-23-10-1-2-11-23)25-15-8-19(9-16-25)24-12-3-4-13-24/h5-6,17,19H,1-4,7-16H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1


(Homo sapiens)
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50440571
PNG
(CHEMBL2426474)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C28H42N4O2/c33-27(31-19-11-25(12-20-31)29-15-3-1-4-16-29)23-7-9-24(10-8-23)28(34)32-21-13-26(14-22-32)30-17-5-2-6-18-30/h7-10,25-26H,1-6,11-22H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (8 to 62) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (8 to 62) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496588
PNG
(CHEMBL3134127)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCOCC1
Show InChI InChI=1S/C21H33N3O/c1-2-11-23(10-1)21-8-13-24(14-9-21)20-5-3-19(4-6-20)7-12-22-15-17-25-18-16-22/h3-6,21H,1-2,7-18H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496589
PNG
(CHEMBL3134126)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCCC1
Show InChI InChI=1S/C22H35N3/c1-2-13-23(14-3-1)17-10-20-6-8-21(9-7-20)25-18-11-22(12-19-25)24-15-4-5-16-24/h6-9,22H,1-5,10-19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496590
PNG
(CHEMBL3134145)
Show SMILES FC1(F)CN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C20H29F2N3/c21-20(22)15-23(16-20)12-7-17-3-5-18(6-4-17)25-13-8-19(9-14-25)24-10-1-2-11-24/h3-6,19H,1-2,7-16H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496591
PNG
(CHEMBL3134144)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCC1
Show InChI InChI=1S/C20H31N3/c1-2-14-22(13-1)20-9-16-23(17-10-20)19-6-4-18(5-7-19)8-15-21-11-3-12-21/h4-7,20H,1-3,8-17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496586
PNG
(CHEMBL3134142)
Show SMILES N#CC1CCN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C22H32N4/c23-17-20-8-14-24(18-20)13-7-19-3-5-21(6-4-19)26-15-9-22(10-16-26)25-11-1-2-12-25/h3-6,20,22H,1-2,7-16,18H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496587
PNG
(CHEMBL3134138)
Show SMILES O=C(CCc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C22H33N3O/c26-22(25-15-3-4-16-25)10-7-19-5-8-20(9-6-19)24-17-11-21(12-18-24)23-13-1-2-14-23/h5-6,8-9,21H,1-4,7,10-18H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496592
PNG
(CHEMBL3134135)
Show SMILES C(Cc1cccc(c1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C21H33N3/c1-2-12-22(11-1)15-8-19-6-5-7-21(18-19)24-16-9-20(10-17-24)23-13-3-4-14-23/h5-7,18,20H,1-4,8-17H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50440571
PNG
(CHEMBL2426474)
Show SMILES O=C(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C28H42N4O2/c33-27(31-19-11-25(12-20-31)29-15-3-1-4-16-29)23-7-9-24(10-8-23)28(34)32-21-13-26(14-22-32)30-17-5-2-6-18-30/h7-10,25-26H,1-6,11-22H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 1


(Homo sapiens)
BDBM50496592
PNG
(CHEMBL3134135)
Show SMILES C(Cc1cccc(c1)N1CCC(CC1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C21H33N3/c1-2-12-22(11-1)15-8-19-6-5-7-21(18-19)24-16-9-20(10-17-24)23-13-3-4-14-23/h5-7,18,20H,1-4,8-17H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496597
PNG
(CHEMBL3134129)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CC2(COC2)C1
Show InChI InChI=1S/C22H33N3O/c1-2-11-24(10-1)21-8-13-25(14-9-21)20-5-3-19(4-6-20)7-12-23-15-22(16-23)17-26-18-22/h3-6,21H,1-2,7-18H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50496584
PNG
(CHEMBL3134146)
Show SMILES OCC1(CO)CN(CCc2ccc(cc2)N2CCC(CC2)N2CCCC2)C1
Show InChI InChI=1S/C22H35N3O2/c26-17-22(18-27)15-23(16-22)12-7-19-3-5-20(6-4-19)25-13-8-21(9-14-25)24-10-1-2-11-24/h3-6,21,26-27H,1-2,7-18H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
TP53-binding protein 1


(Homo sapiens (Human))
BDBM50341828
PNG
(3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbon...)
Show SMILES Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins ...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
Chromobox protein homolog 7


(Homo sapiens (Human))
BDBM50496589
PNG
(CHEMBL3134126)
Show SMILES C(Cc1ccc(cc1)N1CCC(CC1)N1CCCC1)N1CCCCC1
Show InChI InChI=1S/C22H35N3/c1-2-13-23(14-3-1)17-10-20-6-8-21(9-7-20)25-18-11-22(12-19-25)24-15-4-5-16-24/h6-9,22H,1-5,10-19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of CBX7 (8 to 62) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room...


Medchemcomm 4: 1501-1507 (2013)


Article DOI: 10.1039/c3md00197k
BindingDB Entry DOI: 10.7270/Q2BV7KKN
More data for this
Ligand-Target Pair
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