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Compile Data Set for Download or QSAR

Found 14 hits of kd data for polymerid = 7095   
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/an/a 120n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric 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


(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/an/a 120n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of L3MBTL3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry


J Med Chem 62: 8996-9007 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00522
BindingDB Entry DOI: 10.7270/Q2JM2F0X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lethal(3)malignant brain tumor-like protein 3


(Homo sapiens (Human))
BDBM50440605
PNG
(CHEMBL2424677)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC(CC4)C4CCCN4)c(Nc4ccccc4)c3)cc2C1
Show InChI InChI=1S/C33H39N5O2/c1-2-37-21-25-10-12-28(19-26(25)22-37)36-32(39)24-11-13-29(31(20-24)35-27-7-4-3-5-8-27)33(40)38-17-14-23(15-18-38)30-9-6-16-34-30/h3-5,7-8,10-13,19-20,23,30,34-35H,2,6,9,14-18,21-22H2,1H3,(H,36,39)
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n/an/an/a 350n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric 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


(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/an/a 370n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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))
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/an/a 390n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric 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


(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/an/a 400n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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))
BDBM50440607
PNG
(CHEMBL2426375)
Show SMILES CCN1Cc2ccc(NC(=O)c3ccc(cc3)C(=O)N3CCC(CC3)C3CCCN3)cc2C1
Show InChI InChI=1S/C27H34N4O2/c1-2-30-17-22-9-10-24(16-23(22)18-30)29-26(32)20-5-7-21(8-6-20)27(33)31-14-11-19(12-15-31)25-4-3-13-28-25/h5-10,16,19,25,28H,2-4,11-15,17-18H2,1H3,(H,29,32)
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n/an/an/a 470n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric 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


(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/an/a 610n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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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n/an/an/a 1.40E+3n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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))
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/an/a 1.80E+3n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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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n/an/an/a 2.40E+3n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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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n/an/an/a 2.70E+3n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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/an/a 3.80E+4n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


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/an/a 4.40E+4n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis


Medchemcomm 4: 1501-1507 (2013)


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