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Compile Data Set for Download or QSAR

Found 497 hits of ic50 data for polymerid = 50004894   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50581154
PNG
(CHEMBL5090533)
Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
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n/an/a>100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MOF using AcCoA and H4 peptide as substrate incubated for 12 min at room temperature relative to control


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00141
BindingDB Entry DOI: 10.7270/Q2XK8KFR
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 6
PNG
PDB
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n/an/a 746n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 78
PNG
PDB
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n/an/a 768n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 22
PNG
PDB
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n/an/a 1.05E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Tested for antagonist activity against NK1 receptor in rabbit vena cava by using substance P (SP) as agonist


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 1
PNG
PDB
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n/an/a 1.21E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 77
PNG
PDB
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n/an/a 2.03E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 5
PNG
PDB
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n/an/a 3.96E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 8
PNG
PDB
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n/an/a 4.03E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 7
PNG
PDB
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n/an/a 5.12E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 84
PNG
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n/an/a 5.51E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 73
PNG
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n/an/a 5.78E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470498
PNG
(CHEMBL4282866)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C19H20N2O2S2/c1-3-21(4-2)25(22,23)16-12-9-15(10-13-16)11-14-19-20-17-7-5-6-8-18(17)24-19/h5-14H,3-4H2,1-2H3/b14-11+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470503
PNG
(CHEMBL4288384)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3ccc(F)cc3s2)cc1
Show InChI InChI=1S/C19H19FN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-11-8-15(20)13-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50282619
PNG
(CHEMBL4159902)
Show SMILES Nc1ccc(O)c2ccncc12
Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470501
PNG
(CHEMBL4290743)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(C)c(C)cc3s2)cc1
Show InChI InChI=1S/C21H24N2O2S2/c1-5-23(6-2)27(24,25)18-10-7-17(8-11-18)9-12-21-22-19-13-15(3)16(4)14-20(19)26-21/h7-14H,5-6H2,1-4H3/b12-9+
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n/an/a 7.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 11
PNG
PDB
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n/an/a 8.84E+3n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606556
PNG
(US11685732, Compound I-200)
Show SMILES Cn1cnc(c1)-c1cc(Cl)c(F)c(c1)C(=O)NNS(=O)(=O)C[C@H]1CC[C@H](CC1)NC(N)=O |r,wD:22.23,25.30,(-11.32,-1.74,;-9.79,-1.9,;-9.02,-3.24,;-7.51,-2.92,;-7.35,-1.38,;-8.76,-.76,;-6.02,-.61,;-6.02,.93,;-4.68,1.7,;-4.68,3.24,;-3.35,.93,;-2.02,1.7,;-3.35,-.61,;-4.68,-1.38,;-2.02,-1.38,;-2.02,-2.92,;-.68,-.61,;.65,-1.38,;1.98,-.61,;1.21,.72,;2.75,-1.95,;3.32,.16,;4.65,-.61,;4.65,-2.15,;5.99,-2.92,;7.32,-2.15,;7.32,-.61,;5.99,.16,;8.65,-2.92,;9.99,-2.15,;11.32,-2.92,;9.99,-.61,)|
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n/an/a<1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606533
PNG
(US11685732, Compound I-177)
Show SMILES COc1ccc(CNC(=O)NC2CC[C@H](CS(=O)(=O)NNC(=O)c3cc(cc(Cl)c3F)-c3cn(C)cn3)CC2)cc1 |r,wU:14.14,(15.32,-3.46,;13.99,-4.23,;12.65,-3.46,;11.32,-4.23,;9.99,-3.46,;9.99,-1.92,;8.65,-1.15,;7.32,-1.92,;5.99,-1.15,;5.99,.39,;4.65,-1.92,;3.32,-1.16,;3.32,.38,;1.98,1.16,;.65,.38,;-.68,1.15,;-2.02,.38,;-2.79,1.72,;-1.25,-.95,;-3.35,-.39,;-4.68,.38,;-6.02,-.39,;-6.02,-1.93,;-7.35,.38,;-8.69,-.39,;-10.02,.38,;-10.02,1.92,;-8.69,2.69,;-8.69,4.23,;-7.35,1.92,;-6.02,2.69,;-11.35,-.39,;-12.76,.24,;-13.79,-.9,;-15.32,-.74,;-13.02,-2.24,;-11.51,-1.92,;.65,-1.16,;1.98,-1.93,;11.32,-1.15,;12.65,-1.92,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606664
PNG
(US11685732, Compound I-308)
Show SMILES Cn1cnc(c1)-c1cc(Cl)c(F)c(c1)C(=O)NNS(=O)(=O)CC1CC2CCC1C2
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 12
PNG
PDB
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n/an/a 1.03E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 9
PNG
PDB
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n/an/a 1.26E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470507
PNG
(CHEMBL4291382)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1
Show InChI InChI=1S/C25H23N3O2S2/c29-23(14-18-8-5-7-17-6-1-2-9-20(17)18)26-19-10-11-21-22(15-19)32-25(27-21)31-16-24(30)28-12-3-4-13-28/h1-2,5-11,15H,3-4,12-14,16H2,(H,26,29)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50360449
PNG
(CHEMBL1215739 | MG-149)
Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1
Show InChI InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 62
PNG
PDB
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n/an/a 1.62E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470506
PNG
(CHEMBL4280076)
Show SMILES Cc1ccc(o1)-c1cc(C(O)=O)c2cc3c(cc(nc3cc2n1)-c1ccc(C)o1)C(O)=O
Show InChI InChI=1S/C24H16N2O6/c1-11-3-5-21(31-11)19-8-15(23(27)28)13-7-14-16(24(29)30)9-20(22-6-4-12(2)32-22)26-18(14)10-17(13)25-19/h3-10H,1-2H3,(H,27,28)(H,29,30)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470504
PNG
(CHEMBL4286898)
Show SMILES CCc1nnc(NC(=O)CCSCCC(=O)Nc2nnc(CC)s2)s1
Show InChI InChI=1S/C14H20N6O2S3/c1-3-11-17-19-13(24-11)15-9(21)5-7-23-8-6-10(22)16-14-20-18-12(4-2)25-14/h3-8H2,1-2H3,(H,15,19,21)(H,16,20,22)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50506380
PNG
(CHEMBL4587968)
Show SMILES Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|
Show InChI InChI=1S/C27H23F4N5O4/c1-34-11-18(10-32-34)15-2-4-20-16(8-15)6-7-26(20)24(38)36(25(39)33-26)13-23(37)35-12-17-9-19(28)3-5-21(17)40-14-22(35)27(29,30)31/h2-5,8-11,22H,6-7,12-14H2,1H3,(H,33,39)/t22-,26-/m0/s1
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of MOF (unknown origin)


J Med Chem 63: 1337-1360 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01721
BindingDB Entry DOI: 10.7270/Q25Q50C7
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50580965
PNG
(CHEMBL5090239)
Show SMILES CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|
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TBA

Assay Description
Inhibition of MOF (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116512
BindingDB Entry DOI: 10.7270/Q23B640X
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 10
PNG
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n/an/a 2.06E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 88
PNG
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n/an/a 2.18E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50303931
PNG
(4-(dimethylamino)naphthalen-1-ol | CHEMBL571241)
Show SMILES CN(C)c1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470505
PNG
(CHEMBL4279641)
Show SMILES Oc1cc(O)c2sc3nc(cc(-c4cccs4)c3c2n1)-c1cccs1
Show InChI InChI=1S/C18H10N2O2S3/c21-11-8-14(22)20-16-15-9(12-3-1-5-23-12)7-10(13-4-2-6-24-13)19-18(15)25-17(11)16/h1-8H,(H2,20,21,22)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470510
PNG
(CHEMBL4290304)
Show SMILES CC1CCc2c(C1)sc1nnn(CC(=O)Nc3cccc4ccccc34)c(=O)c21
Show InChI InChI=1S/C22H20N4O2S/c1-13-9-10-16-18(11-13)29-21-20(16)22(28)26(25-24-21)12-19(27)23-17-8-4-6-14-5-2-3-7-15(14)17/h2-8,13H,9-12H2,1H3,(H,23,27)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 13
PNG
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n/an/a 2.55E+4n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8 [177-447]


(Homo sapiens (Human))
US11911372, Example 40
PNG
(3,4-dimethyl-N-(5- phenylisoxazol-3- yl)benzenesul...)
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Sumitomo Dainippon Pharma Co., Ltd.

US Patent




US Patent US10815241 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50360449
PNG
(CHEMBL1215739 | MG-149)
Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1
Show InChI InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470509
PNG
(CHEMBL4294792)
Show SMILES Cc1ccc(cc1)C1N(Cc2ccco2)C(=O)C(O)=C1C(=O)c1cc2ccccc2o1 |c:20|
Show InChI InChI=1S/C25H19NO5/c1-15-8-10-16(11-9-15)22-21(23(27)20-13-17-5-2-3-7-19(17)31-20)24(28)25(29)26(22)14-18-6-4-12-30-18/h2-13,22,28H,14H2,1H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470499
PNG
(CHEMBL4294738)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(Br)ccc3s2)cc1
Show InChI InChI=1S/C19H19BrN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-13-15(20)8-11-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50470502
PNG
(CHEMBL4280681)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(\C=C\c2nc3cc(Cl)ccc3s2)cc1
Show InChI InChI=1S/C19H19ClN2O2S2/c1-3-22(4-2)26(23,24)16-9-5-14(6-10-16)7-12-19-21-17-13-15(20)8-11-18(17)25-19/h5-13H,3-4H2,1-2H3/b12-7+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay


Eur J Med Chem 157: 867-876 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.026
BindingDB Entry DOI: 10.7270/Q2CC13DT
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606538
PNG
(US11685732, Compound I-182)
Show SMILES Cc1cc(nn1)-c1cc(Cl)c(F)c(c1)C(=O)NNS(=O)(=O)CC1CCOCC1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606539
PNG
(US11685732, Compound I-183)
Show SMILES CNC(=S)N1CC[C@@H](CS(=O)(=O)NNC(=O)c2cc(cc(Cl)c2F)-c2cn(C)cn2)C1 |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606540
PNG
(US11685732, Compound I-184)
Show SMILES CC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)NNC(=O)c2cc(cc(Cl)c2F)-c2cn(C)cn2)CC1 |r,wD:7.7,4.3,(-11.32,-2.92,;-9.99,-2.15,;-9.99,-.61,;-8.65,-2.92,;-7.32,-2.15,;-7.32,-.61,;-5.99,.16,;-4.65,-.61,;-3.32,.16,;-1.98,-.61,;-1.21,.72,;-2.75,-1.95,;-.65,-1.38,;.68,-.61,;2.02,-1.38,;2.02,-2.92,;3.35,-.61,;4.68,-1.38,;6.02,-.61,;6.02,.93,;4.68,1.7,;4.68,3.24,;3.35,.93,;2.02,1.7,;7.35,-1.38,;8.76,-.76,;9.79,-1.9,;11.32,-1.74,;9.02,-3.24,;7.51,-2.92,;-4.65,-2.15,;-5.99,-2.92,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606541
PNG
(US11685732, Compound I-185)
Show SMILES Cn1cnc(c1)-c1cc(Cl)c(F)c(c1)C(=O)NNS(=O)(=O)CC1CN(C1)S(=O)(=O)C1CC1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606542
PNG
(US11685732, Compound I-186 | US11685732, Compound ...)
Show SMILES CNC(=O)N[C@@H]1C[C@H](CS(=O)(=O)NNC(=O)c2cc(cc(Cl)c2F)-c2cn(C)cn2)C1 |r,wU:7.7,5.4,(11.6,-1.7,;10.26,-2.47,;8.93,-1.7,;8.93,-.16,;7.6,-2.47,;6.26,-1.7,;5.86,-.22,;4.38,-.61,;3.04,.16,;1.71,-.61,;.94,.72,;2.48,-1.95,;.37,-1.38,;-.96,-.61,;-2.29,-1.38,;-2.29,-2.92,;-3.63,-.61,;-4.96,-1.38,;-6.29,-.61,;-6.29,.93,;-4.96,1.7,;-4.96,3.24,;-3.63,.93,;-2.29,1.7,;-7.63,-1.38,;-9.03,-.76,;-10.06,-1.9,;-11.6,-1.74,;-9.29,-3.24,;-7.79,-2.92,;4.77,-2.1,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606543
PNG
(US11685732, Compound I-187)
Show SMILES CC(C)NC(=O)N1CCCC(CS(=O)(=O)NNC(=O)c2cc(cc(Cl)c2F)-c2cn(C)cn2)C1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM606544
PNG
(US11685732, Compound I-188)
Show SMILES CNC(=O)N[C@H]1C[C@H](CS(=O)(=O)NNC(=O)c2cc(cc(Cl)c2F)-c2cn(C)cn2)C1 |r,wU:5.4,wD:7.7,(11.6,-1.7,;10.26,-2.47,;8.93,-1.7,;8.93,-.16,;7.6,-2.47,;6.26,-1.7,;4.77,-2.1,;4.38,-.61,;3.04,.16,;1.71,-.61,;.94,.72,;2.48,-1.95,;.37,-1.38,;-.96,-.61,;-2.29,-1.38,;-2.29,-2.92,;-3.63,-.61,;-4.96,-1.38,;-6.29,-.61,;-6.29,.93,;-4.96,1.7,;-4.96,3.24,;-3.63,.93,;-2.29,1.7,;-7.63,-1.38,;-9.03,-.76,;-10.06,-1.9,;-11.6,-1.74,;-9.29,-3.24,;-7.79,-2.92,;5.86,-.22,)|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q28G8QTD
More data for this
Ligand-Target Pair
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