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Compile Data Set for Download or QSAR

Found 22 hits of ic50 data for polymerid = 50006167   
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 7


(Homo sapiens (Human))
BDBM50273472
PNG
(CHEMBL4126235)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C97H178N36O28/c1-49(2)45-66(87(153)117-53(6)94(160)161)127-84(150)64(33-35-69(102)138)123-79(145)58(26-14-18-38-99)121-82(148)62(30-22-41-111-96(106)107)125-89(155)68-32-24-43-132(68)93(159)52(5)116-78(144)57(25-13-17-37-98)118-72(141)47-113-71(140)46-114-90(156)73(54(7)135)129-88(154)67(48-134)128-83(149)59(27-15-19-39-100)122-81(147)61(29-21-40-110-95(104)105)120-77(143)51(4)115-91(157)74(55(8)136)130-86(152)65(34-36-70(103)139)124-80(146)60(28-16-20-44-133(10,11)12)126-92(158)75(56(9)137)131-85(151)63(119-76(142)50(3)101)31-23-42-112-97(108)109/h49-68,73-75,134-137H,13-48,98-101H2,1-12H3,(H35-,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,160,161)/p+1/t50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM7A catalytic domain expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)


Article DOI: 10.1021/jm300677j
BindingDB Entry DOI: 10.7270/Q2JH3N9S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3.HI/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4;/h5-6,8-13H,7,14-15H2,1-4H3;1H/q+1;/p-1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM92788
PNG
(WAG-005)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCC[N+](C)(C)C)c(I)c1
Show InChI InChI=1S/C25H30I2NO3/c1-5-6-11-22-23(18-10-7-8-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-9-13-28(2,3)4/h7-8,10,12,15-16H,5-6,9,11,13-14H2,1-4H3/q+1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM92788
PNG
(WAG-005)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCC[N+](C)(C)C)c(I)c1
Show InChI InChI=1S/C25H30I2NO3/c1-5-6-11-22-23(18-10-7-8-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-9-13-28(2,3)4/h7-8,10,12,15-16H,5-6,9,11,13-14H2,1-4H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273477
PNG
(CHEMBL4129830)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1cc(F)c(OCCC[N+](C)(C)C)c(F)c1
Show InChI InChI=1S/C25H30F2NO3.HI/c1-5-6-11-22-23(18-10-7-8-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-9-13-28(2,3)4;/h7-8,10,12,15-16H,5-6,9,11,13-14H2,1-4H3;1H/q+1;/p-1
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50273474
PNG
(CHEMBL4129980)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1cc(OC)c(OCCC[N+](C)(C)C)c(OC)c1
Show InChI InChI=1S/C27H36NO5.HI/c1-7-8-13-22-25(20-12-9-10-14-21(20)33-22)26(29)19-17-23(30-5)27(24(18-19)31-6)32-16-11-15-28(2,3)4;/h9-10,12,14,17-18H,7-8,11,13,15-16H2,1-6H3;1H/q+1;/p-1
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273478
PNG
(CHEMBL4130224)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C25H32NO3.HI/c1-5-6-11-23-24(21-10-7-8-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-9-17-26(2,3)4;/h7-8,10,12-16H,5-6,9,11,17-18H2,1-4H3;1H/q+1;/p-1
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n/an/a 8.60E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50273476
PNG
(CHEMBL4128152)
Show SMILES [I-].C\N=C(\c1coc2ccccc12)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H27N2O2.HI/c1-23-22(20-16-26-21-9-6-5-8-19(20)21)17-10-12-18(13-11-17)25-15-7-14-24(2,3)4;/h5-6,8-13,16H,7,14-15H2,1-4H3;1H/q+1;/p-1/b23-22+;
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273476
PNG
(CHEMBL4128152)
Show SMILES [I-].C\N=C(\c1coc2ccccc12)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H27N2O2.HI/c1-23-22(20-16-26-21-9-6-5-8-19(20)21)17-10-12-18(13-11-17)25-15-7-14-24(2,3)4;/h5-6,8-13,16H,7,14-15H2,1-4H3;1H/q+1;/p-1/b23-22+;
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n/an/a 9.80E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50270479
PNG
(CHEMBL4127094)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
Show InChI InChI=1S/C25H32NO3.HI/c1-5-6-14-23-24(19-12-7-10-16-22(19)29-23)25(27)20-13-8-9-15-21(20)28-18-11-17-26(2,3)4;/h7-10,12-13,15-16H,5-6,11,14,17-18H2,1-4H3;1H/q+1;/p-1
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n/an/a 1.02E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50273473
PNG
(CHEMBL4127792)
Show SMILES [I-].Cc1sc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO2S.HI/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4;/h5-6,8-13H,7,14-15H2,1-4H3;1H/q+1;/p-1
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n/an/a 1.04E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50273469
PNG
(CHEMBL4126406)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C22H26NO3.HI/c1-16-21(19-8-5-6-9-20(19)26-16)22(24)17-10-12-18(13-11-17)25-15-7-14-23(2,3)4;/h5-6,8-13H,7,14-15H2,1-4H3;1H/q+1;/p-1
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50273478
PNG
(CHEMBL4130224)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C25H32NO3.HI/c1-5-6-11-23-24(21-10-7-8-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-9-17-26(2,3)4;/h7-8,10,12-16H,5-6,9,11,17-18H2,1-4H3;1H/q+1;/p-1
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n/an/a 1.49E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273471
PNG
(CHEMBL4127515)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](CC)(CC)CC)cc1
Show InChI InChI=1S/C28H38NO3.HI/c1-5-9-14-26-27(24-13-10-11-15-25(24)32-26)28(30)22-16-18-23(19-17-22)31-21-12-20-29(6-2,7-3)8-4;/h10-11,13,15-19H,5-9,12,14,20-21H2,1-4H3;1H/q+1;/p-1
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n/an/a 1.51E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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n/an/a 1.56E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273475
PNG
(CHEMBL4126951)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1
Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3
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n/an/a 2.95E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50273470
PNG
(CHEMBL4128613)
Show SMILES [I-].Cc1oc2ccccc2c1C(=O)c1ccccc1OCCC[N+](C)(C)C
Show InChI InChI=1S/C22H26NO3.HI/c1-16-21(17-10-5-8-13-20(17)26-16)22(24)18-11-6-7-12-19(18)25-15-9-14-23(2,3)4;/h5-8,10-13H,9,14-15H2,1-4H3;1H/q+1;/p-1
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n/an/a 3.26E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM50273475
PNG
(CHEMBL4126951)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)C)cc1
Show InChI InChI=1S/C24H29NO3/c1-4-5-10-22-23(20-9-6-7-11-21(20)28-22)24(26)18-12-14-19(15-13-18)27-17-8-16-25(2)3/h6-7,9,11-15H,4-5,8,10,16-17H2,1-3H3
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n/an/a 3.33E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7A/7B


(Homo sapiens (Human))
BDBM50270475
PNG
(CHEMBL4126135)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN)cc1
Show InChI InChI=1S/C22H25NO3/c1-2-3-8-20-21(18-7-4-5-9-19(18)26-20)22(24)16-10-12-17(13-11-16)25-15-6-14-23/h4-5,7,9-13H,2-3,6,8,14-15,23H2,1H3
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n/an/a 5.34E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by p...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens (Human))
BDBM92787
PNG
(WAG-003)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+](C)(C)C)c(I)c1
Show InChI InChI=1S/C24H28I2NO3/c1-5-6-10-21-22(17-9-7-8-11-20(17)30-21)23(28)16-14-18(25)24(19(26)15-16)29-13-12-27(2,3)4/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3/q+1
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n/an/a 2.23E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed...


Bioorg Med Chem 26: 2984-2991 (2018)

More data for this
Ligand-Target Pair