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Compile Data Set for Download or QSAR

Found 29 hits of ic50 data for polymerid = 8230   
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
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDM3B (842 to 1761 residues) (unknown origin) expressed in baculovirus infected sf9 cells using biotin-H3K9me as substrate ...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50158858
PNG
(CHEMBL3786409)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(CNC(=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C17H26F3N5O2/c1-4-25(8-7-24(2)3)15(26)12-21-11-14-9-13(5-6-22-14)10-23-16(27)17(18,19)20/h5-6,9,21H,4,7-8,10-12H2,1-3H3,(H,23,27)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDM3B (842 to 1761 residues) (unknown origin) expressed in baculovirus infected sf9 cells using biotin-H3K9me as substrate ...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50158857
PNG
(CHEMBL3787547)
Show SMILES CCN(CC)CCCCNCc1cc(C=O)ccn1
Show InChI InChI=1S/C15H25N3O/c1-3-18(4-2)10-6-5-8-16-12-15-11-14(13-19)7-9-17-15/h7,9,11,13,16H,3-6,8,10,12H2,1-2H3
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University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDM3B (842 to 1761 residues) (unknown origin) expressed in baculovirus infected sf9 cells using biotin-H3K9me as substrate ...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM293660
PNG
(3-({[(1S)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahyd...)
Show SMILES CN(c1ccccc1)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1 |r|
Show InChI InChI=1S/C24H25N3O2/c1-27(19-8-3-2-4-9-19)20-10-11-21-17(14-20)6-5-7-18(21)15-26-23-16-25-13-12-22(23)24(28)29/h2-4,8-14,16,18,26H,5-7,15H2,1H3,(H,28,29)/t18-/m0/s1
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n/an/a>4.00E+3n/an/an/an/an/an/a



Celgene Quanticel Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3B (unknown origin) using biotinylated H3K9me1 peptide and alpha-ketoglutarate as substrate measured after 20 mins by LANCE TR-FRET ...


ACS Med Chem Lett 8: 869-874 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00220
BindingDB Entry DOI: 10.7270/Q2HH6NPJ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50242878
PNG
(CHEMBL4090908)
Show SMILES Cc1nn2c(nc(O)c3cccnc23)c1C#N
Show InChI InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


Bioorg Med Chem Lett 27: 3201-3204 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.002
BindingDB Entry DOI: 10.7270/Q2VH5R84
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



Genentech Inc



Assay Description
TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a>1.53E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM3B (unknown origin) using ARTKQTAR(KMe1)STGGKAPRKQLA -NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM3B (unknown origin) using ARTKQTAR(KMe1)STGGKAPRKQLA -NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay


Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM281089
PNG
(US10022354, Example 29)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1 |r|
Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM3B expressed in baculovirus infected Sf9 insect cells using H3K9me1 peptide as substrate af...


Bioorg Med Chem Lett 27: 2974-2981 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM281138
PNG
(US10022354, Example 78)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H26N6O/c1-13(2)18-9-20(25-24-18)21(28)27-6-5-15(12-27)19-8-16(7-14(3)23-19)17-10-22-26(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,24,25)
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Genentech Inc., 1 DNA Way, South San Francisco, CA 94080, USA. Electronic address: liang.jun@gene.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged KDM3B expressed in baculovirus infected Sf9 insect cells using H3K9me1 peptide as substrate af...


Bioorg Med Chem Lett 27: 2974-2981 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.016
BindingDB Entry DOI: 10.7270/Q2RF5XFT
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genentech Inc



Assay Description
TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM195609
PNG
(CPI-4203)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1C
Show InChI InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,19H,3H2,1-2H3
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Genentech Inc



Assay Description
TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Genentech Inc



Assay Description
TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.


Nat Chem Biol 12: 531-8 (2016)


Article DOI: 10.1038/nchembio.2085
BindingDB Entry DOI: 10.7270/Q2CF9NXW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580328
PNG
(CHEMBL5071515)
Show SMILES CCOC(=O)\C=C/Sc1ncc(C(O)=O)c(=O)[nH]1
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n/an/a 2.67E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580322
PNG
(CHEMBL5072902)
Show SMILES OC(=O)c1cnc(SCC2CCCCC2)[nH]c1=O
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n/an/a 4.76E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580320
PNG
(CHEMBL5071002)
Show SMILES CCCCCSc1ncc(C(O)=O)c(=O)[nH]1
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n/an/a 5.12E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580317
PNG
(CHEMBL5080728)
Show SMILES OC(=O)c1c[nH]c(=S)[nH]c1=O
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n/an/a 5.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580325
PNG
(CHEMBL5084638)
Show SMILES OC(=O)c1cnc(SCCc2ccccc2)[nH]c1=O
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n/an/a 5.42E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580324
PNG
(CHEMBL5081435)
Show SMILES OC(=O)c1cnc(SCC(=O)c2ccccc2)[nH]c1=O
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n/an/a 5.62E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580326
PNG
(CHEMBL5070745)
Show SMILES OC(=O)c1cnc(SCCCc2ccccc2)[nH]c1=O
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n/an/a 5.75E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580319
PNG
(CHEMBL5083418)
Show SMILES CCCCSc1ncc(C(O)=O)c(=O)[nH]1
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n/an/a 6.21E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580329
PNG
(CHEMBL5084143)
Show SMILES OC(=O)\C=C/Sc1ncc(C(O)=O)c(=O)[nH]1
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n/an/a 6.37E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580327
PNG
(CHEMBL5089880)
Show SMILES OC(=O)c1cnc(SCCCCc2ccccc2)[nH]c1=O
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n/an/a 6.59E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580321
PNG
(CHEMBL5091848)
Show SMILES CCCCCCCCCSc1ncc(C(O)=O)c(=O)[nH]1
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n/an/a 6.68E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM223320
PNG
(KDOAM-25)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O
Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of Oxford



Assay Description
We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...


Cell Chem Biol 24: 371-380 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.006
BindingDB Entry DOI: 10.7270/Q23N2288
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580323
PNG
(CHEMBL5076580)
Show SMILES OC(=O)c1cnc(SCc2ccccc2)[nH]c1=O
PDB

UniProtKB/SwissProt

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UniChem
Article
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50576306
PNG
(CHEMBL4849961)
Show SMILES Cn1ccc(n1)-c1cc(ccn1)C(=O)OCC(F)(F)F
PDB

UniProtKB/SwissProt

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UniChem
Article
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDM3B (unknown origin) by Succinate-Glo assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128109
BindingDB Entry DOI: 10.7270/Q2FT8QVV
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50574750
PNG
(CHEMBL4850758)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(c1ccc(cc1)-c1ccncc1)c1cc2OCOc2cc1O |r|
PDB

UniProtKB/SwissProt

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UniChem
Article
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDM3B (unknown origin) by AlphaLISA assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113662
BindingDB Entry DOI: 10.7270/Q24T6P5X
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3B


(Homo sapiens (Human))
BDBM50580318
PNG
(CHEMBL5089117)
Show SMILES CSc1ncc(C(O)=O)c(=O)[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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UniChem
Article
PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00605
BindingDB Entry DOI: 10.7270/Q2GQ72N6
More data for this
Ligand-Target Pair