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Compile Data Set for Download or QSAR

Found 475 hits of affinity data for UniProtKB/TrEMBL: Q92831   
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
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r|
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
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 1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method

J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r|
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method

J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O |w:4.3|
Show InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)
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 5.52E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled MS239 from recombinant human PCAF after 1 hr by fluorescence anisotropy assay

J Med Chem 56: 9251-64 (2013)


Article DOI: 10.1021/jm401334s
BindingDB Entry DOI: 10.7270/Q2ZW1NCF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512964
PNG
(CHEMBL4574669)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C21H25N5O3/c1-25-11-14(13-3-4-17-18(10-13)29-8-7-28-17)9-15(12-25)23-21-24-16-5-6-22-19(16)20(27)26(21)2/h3-6,10,14-15,22H,7-9,11-12H2,1-2H3,(H,23,24)/t14-,15+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512976
PNG
(CHEMBL4543497)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc(Oc2ccccc2)cc1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C25H27N5O2/c1-29-15-18(17-8-10-21(11-9-17)32-20-6-4-3-5-7-20)14-19(16-29)27-25-28-22-12-13-26-23(22)24(31)30(25)2/h3-13,18-19,26H,14-16H2,1-2H3,(H,27,28)/t18-,19+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50234932
PNG
(CHEMBL4103402 | US10239861, Example 20)
Show SMILES CC(C)C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1
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n/an/a 12.7n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50234932
PNG
(CHEMBL4103402 | US10239861, Example 20)
Show SMILES CC(C)C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to FLAG epitope-fused/His-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) measured after 15 ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50234932
PNG
(CHEMBL4103402 | US10239861, Example 20)
Show SMILES CC(C)C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...

J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512967
PNG
(CHEMBL4449143)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc(OCc2ccccc2)cc1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C26H29N5O2/c1-30-15-20(19-8-10-22(11-9-19)33-17-18-6-4-3-5-7-18)14-21(16-30)28-26-29-23-12-13-27-24(23)25(32)31(26)2/h3-13,20-21,27H,14-17H2,1-2H3,(H,28,29)/t20-,21+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512958
PNG
(CHEMBL4439202)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc(OC(F)(F)F)cc1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C20H22F3N5O2/c1-27-10-13(12-3-5-15(6-4-12)30-20(21,22)23)9-14(11-27)25-19-26-16-7-8-24-17(16)18(29)28(19)2/h3-8,13-14,24H,9-11H2,1-2H3,(H,25,26)/t13-,14+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM311486
PNG
(CHEM-US-00192 | US10155764, Example 65B)
Show SMILES C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)14-9-6-5-7-10-14)21-18-16-15(11-8-12-20-16)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...

J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM311486
PNG
(CHEM-US-00192 | US10155764, Example 65B)
Show SMILES C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)14-9-6-5-7-10-14)21-18-16-15(11-8-12-20-16)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated ligand binding to FLAG epitope-fused/His-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) measured after 15 ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311486
PNG
(CHEM-US-00192 | US10155764, Example 65B)
Show SMILES C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)14-9-6-5-7-10-14)21-18-16-15(11-8-12-20-16)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311498
PNG
(CHEM-US-00210 | US10155764, Example 74A)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@@H](N(C)C)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H27N5O3S/c1-17(27-24-22-21(11-8-16-26-22)25(31)30(4)28-24)23(29(2)3)18-12-14-20(15-13-18)34(32,33)19-9-6-5-7-10-19/h5-17,23H,1-4H3,(H,27,28)/t17-,23+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311480
PNG
(CHEM-US-00186 | US10155764, Example 60)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccccn1 |r|
Show InChI InChI=1S/C19H23N5O/c1-13(17(23(2)3)16-11-7-8-12-20-16)21-18-14-9-5-6-10-15(14)19(25)24(4)22-18/h5-13,17H,1-4H3,(H,21,22)/t13-,17+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM371542
PNG
(4-chloro-5-(((3R,5S)-1,5-dimethylpiperidin-3-yl)am...)
Show SMILES C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C12H19ClN4O/c1-8-4-9(7-16(2)6-8)15-10-5-14-17(3)12(18)11(10)13/h5,8-9,15H,4,6-7H2,1-3H3/t8-,9+/m0/s1
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n/an/a 21.5n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512960
PNG
(CHEMBL4545594)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1cccc(Br)c1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C19H22BrN5O/c1-24-10-13(12-4-3-5-14(20)8-12)9-15(11-24)22-19-23-16-6-7-21-17(16)18(26)25(19)2/h3-8,13,15,21H,9-11H2,1-2H3,(H,22,23)/t13-,15+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311495
PNG
(CHEM-US-00207 | US10155764, Example 73A)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N4O/c1-14(18(23(2)3)15-10-6-5-7-11-15)21-19-16-12-8-9-13-17(16)20(25)24(4)22-19/h5-14,18H,1-4H3,(H,21,22)/t14-,18+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512965
PNG
(CHEMBL4453637)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1cccc(c1)-c1ccccc1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C25H27N5O/c1-29-15-20(19-10-6-9-18(13-19)17-7-4-3-5-8-17)14-21(16-29)27-25-28-22-11-12-26-23(22)24(31)30(25)2/h3-13,20-21,26H,14-16H2,1-2H3,(H,27,28)/t20-,21+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311483
PNG
(CHEM-US-00189 | US10155764, Example 63)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H28N4O2/c1-18(27-25-22-12-8-9-13-23(22)26(31)30(4)28-25)24(29(2)3)19-14-16-21(17-15-19)32-20-10-6-5-7-11-20/h5-18,24H,1-4H3,(H,27,28)/t18-,24+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311512
PNG
(CHEM-US-00232 | US10155764, Example 87)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@@H](N(C)C)c1ccc(cc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H29N5O3/c1-18(29-25-23-22(11-8-16-28-23)26(33)32(4)30-25)24(31(2)3)20-12-14-21(15-13-20)27(34)35-17-19-9-6-5-7-10-19/h5-16,18,24H,17H2,1-4H3,(H,29,30)/t18-,24+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311511
PNG
(US10155764, Example 86)
Show SMILES CC(C)OC(=O)c1ccc(cc1)[C@@H]([C@H](C)Nc1nn(C)c(=O)c2cccnc12)N(C)C |r|
Show InChI InChI=1S/C23H29N5O3/c1-14(2)31-23(30)17-11-9-16(10-12-17)20(27(4)5)15(3)25-21-19-18(8-7-13-24-19)22(29)28(6)26-21/h7-15,20H,1-6H3,(H,25,26)/t15-,20+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512966
PNG
(CHEMBL4570924)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc(O)cc1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C19H23N5O2/c1-23-10-13(12-3-5-15(25)6-4-12)9-14(11-23)21-19-22-16-7-8-20-17(16)18(26)24(19)2/h3-8,13-14,20,25H,9-11H2,1-2H3,(H,21,22)/t13-,14+/m0/s1
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512954
PNG
(CHEMBL4527339)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc(Cl)c(c1)C(F)(F)F)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C20H21ClF3N5O/c1-28-9-12(11-3-4-15(21)14(8-11)20(22,23)24)7-13(10-28)26-19-27-16-5-6-25-17(16)18(30)29(19)2/h3-6,8,12-13,25H,7,9-10H2,1-2H3,(H,26,27)/t12-,13+/m0/s1
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512968
PNG
(CHEMBL4454700)
Show SMILES COc1ccc(cc1)[C@H]1C[C@H](CN(C)C1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C20H25N5O2/c1-24-11-14(13-4-6-16(27-3)7-5-13)10-15(12-24)22-20-23-17-8-9-21-18(17)19(26)25(20)2/h4-9,14-15,21H,10-12H2,1-3H3,(H,22,23)/t14-,15+/m0/s1
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM371577
PNG
((S)-4-chloro-2-methyl-5-((1-methylazepan-3-yl)amin...)
Show SMILES CN1CCCC[C@@H](C1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C12H19ClN4O/c1-16-6-4-3-5-9(8-16)15-10-7-14-17(2)12(18)11(10)13/h7,9,15H,3-6,8H2,1-2H3/t9-/m0/s1
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n/an/a 32.9n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311479
PNG
(CHEM-US-00185 | US10155764, Example 59)
Show SMILES CC(C)Oc1ccc(cc1)[C@@H]([C@H](C)Nc1nn(C)c(=O)c2ccccc12)N(C)C |r|
Show InChI InChI=1S/C23H30N4O2/c1-15(2)29-18-13-11-17(12-14-18)21(26(4)5)16(3)24-22-19-9-7-8-10-20(19)23(28)27(6)25-22/h7-16,21H,1-6H3,(H,24,25)/t16-,21+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM371546
PNG
(US10239861, Example 26)
Show SMILES C[C@@H]1CC[C@H](CN1C)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C12H19ClN4O/c1-8-4-5-9(7-16(8)2)15-10-6-14-17(3)12(18)11(10)13/h6,8-9,15H,4-5,7H2,1-3H3/t8-,9-/m1/s1
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n/an/a 34.8n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512959
PNG
(CHEMBL4454766)
Show SMILES CCCCc1ccc(cc1)[C@H]1C[C@H](CN(C)C1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C23H31N5O/c1-4-5-6-16-7-9-17(10-8-16)18-13-19(15-27(2)14-18)25-23-26-20-11-12-24-21(20)22(29)28(23)3/h7-12,18-19,24H,4-6,13-15H2,1-3H3,(H,25,26)/t18-,19+/m0/s1
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512980
PNG
(CHEMBL4570969)
Show SMILES C[C@H](Nc1nn2c(C)nnc2c2ccccc12)[C@@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/t14-,19+/m0/s1
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311502
PNG
(US10155764, Example 77)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H30N4O2/c1-19(28-26-23-12-8-9-13-24(23)27(32)31(4)29-26)25(30(2)3)21-14-16-22(17-15-21)33-18-20-10-6-5-7-11-20/h5-17,19,25H,18H2,1-4H3,(H,28,29)/t19-,25+/m0/s1
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GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311490
PNG
(CHEM-US-00202 | US10155764, Example 70A)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2cccc(C)c12)[C@@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-14-10-9-13-17-18(14)20(23-25(5)21(17)26)22-15(2)19(24(3)4)16-11-7-6-8-12-16/h6-13,15,19H,1-5H3,(H,22,23)/t15-,19+/m0/s1
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GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM371541
PNG
((racemic)-4-chloro-5-(((3RS,5SR)-1,5-dimethylpiper...)
Show SMILES CC1CC(CN(C)C1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C12H19ClN4O/c1-8-4-9(7-16(2)6-8)15-10-5-14-17(3)12(18)11(10)13/h5,8-9,15H,4,6-7H2,1-3H3
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n/an/a 36.5n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311497
PNG
(CHEM-US-00209 | US10155764, Example 74)
Show SMILES CC(Nc1nn(C)c(=O)c2cccnc12)C(N(C)C)c1ccc(cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H27N5O3S/c1-17(27-24-22-21(11-8-16-26-22)25(31)30(4)28-24)23(29(2)3)18-12-14-20(15-13-18)34(32,33)19-9-6-5-7-10-19/h5-17,23H,1-4H3,(H,27,28)
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GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r|
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (715 to 831 residues) incubated for 30 mins in dark by TR-FRET assay

J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311478
PNG
(CHEM-US-00184 | US10155764, Example 58)
Show SMILES CC[C@H](Nc1nn(C)c(=O)c2cccnc12)[C@@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C20H25N5O/c1-5-16(18(24(2)3)14-10-7-6-8-11-14)22-19-17-15(12-9-13-21-17)20(26)25(4)23-19/h6-13,16,18H,5H2,1-4H3,(H,22,23)/t16-,18-/m0/s1
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GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311448
PNG
(CHEM-US-00145 | US10155764, Example 34)
Show SMILES CN(C)[C@H]1CN(CC[C@@H]1Nc1nn(C)c(=O)c2ccccc12)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H26ClN5O/c1-26(2)20-14-28(16-10-8-15(23)9-11-16)13-12-19(20)24-21-17-6-4-5-7-18(17)22(29)27(3)25-21/h4-11,19-20H,12-14H2,1-3H3,(H,24,25)/t19-,20-/m0/s1
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GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311476
PNG
(CHEM-US-00182 | US10155764, Example 56)
Show SMILES CC[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-5-18(19(24(2)3)15-11-7-6-8-12-15)22-20-16-13-9-10-14-17(16)21(26)25(4)23-20/h6-14,18-19H,5H2,1-4H3,(H,22,23)/t18-,19-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512975
PNG
(CHEMBL4471748)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C19H23N5O/c1-23-11-14(13-6-4-3-5-7-13)10-15(12-23)21-19-22-16-8-9-20-17(16)18(25)24(19)2/h3-9,14-15,20H,10-12H2,1-2H3,(H,21,22)/t14-,15+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311412
PNG
(US10155764, Example 8A)
Show SMILES C[C@@H](CN(C)C)Nc1nn(C)c(=O)c2cccnc12 |r|
Show InChI InChI=1S/C13H19N5O/c1-9(8-17(2)3)15-12-11-10(6-5-7-14-11)13(19)18(4)16-12/h5-7,9H,8H2,1-4H3,(H,15,16)/t9-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311501
PNG
(US10155764, Example 76)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C20H24N4O2/c1-13(18(23(2)3)14-9-11-15(25)12-10-14)21-19-16-7-5-6-8-17(16)20(26)24(4)22-19/h5-13,18,25H,1-4H3,(H,21,22)/t13-,18+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311503
PNG
(CHEM-US-00222 | US10155764, Example 78)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccc(OCC2CC2)cc1 |r|
Show InChI InChI=1S/C24H30N4O2/c1-16(25-23-20-7-5-6-8-21(20)24(29)28(4)26-23)22(27(2)3)18-11-13-19(14-12-18)30-15-17-9-10-17/h5-8,11-14,16-17,22H,9-10,15H2,1-4H3,(H,25,26)/t16-,22+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311403
PNG
(US10155764, Example 1A)
Show SMILES CN(C)[C@H](CNc1nn(C)c(=O)c2cccnc12)c1ccccc1 |r|
Show InChI InChI=1S/C18H21N5O/c1-22(2)15(13-8-5-4-6-9-13)12-20-17-16-14(10-7-11-19-16)18(24)23(3)21-17/h4-11,15H,12H2,1-3H3,(H,20,21)/t15-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311472
PNG
(CHEM-US-00174 | US10155764, Example 54 | US1015576...)
Show SMILES CN(C)[C@H]1CCCC[C@H]1Nc1nn(C)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C17H24N4O/c1-20(2)15-11-7-6-10-14(15)18-16-12-8-4-5-9-13(12)17(22)21(3)19-16/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3,(H,18,19)/t14-,15+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311505
PNG
(CHEM-US-00224 | US10155764, Example 80)
Show SMILES C[C@H](Nc1nn(C)c(=O)c2ccccc12)[C@@H](N(C)C)c1ccc(Oc2ccccn2)cc1 |r|
Show InChI InChI=1S/C25H27N5O2/c1-17(27-24-20-9-5-6-10-21(20)25(31)30(4)28-24)23(29(2)3)18-12-14-19(15-13-18)32-22-11-7-8-16-26-22/h5-17,23H,1-4H3,(H,27,28)/t17-,23+/m0/s1
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n/an/a 46n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311433
PNG
(CHEM-US-00130 | US10155764, Example 22A)
Show SMILES CN(C)[C@H](CNc1nn(C)c(=O)c2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N4O/c1-22(2)17(14-9-5-4-6-10-14)13-20-18-15-11-7-8-12-16(15)19(24)23(3)21-18/h4-12,17H,13H2,1-3H3,(H,20,21)/t17-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50512979
PNG
(CHEMBL4457684)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc2ccccc2c1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C23H25N5O/c1-27-13-18(17-8-7-15-5-3-4-6-16(15)11-17)12-19(14-27)25-23-26-20-9-10-24-21(20)22(29)28(23)2/h3-11,18-19,24H,12-14H2,1-2H3,(H,25,26)/t18-,19+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by ...

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM371549
PNG
(US10239861, Example 29)
Show SMILES C[C@H]1CC[C@H](CN1C)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C12H19ClN4O/c1-8-4-5-9(7-16(8)2)15-10-6-14-17(3)12(18)11(10)13/h6,8-9,15H,4-5,7H2,1-3H3/t8-,9+/m0/s1
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n/an/a 48.5n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50234932
PNG
(CHEMBL4103402 | US10239861, Example 20)
Show SMILES CC(C)C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C15H25ClN4O/c1-10(2)5-11-6-12(9-19(3)8-11)18-13-7-17-20(4)15(21)14(13)16/h7,10-12,18H,5-6,8-9H2,1-4H3/t11-,12+/m0/s1
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n/an/a 49.6n/an/an/an/an/an/a



GLSynthesis Inc.



Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

J Med Chem 48: 3919-29 (2005)


BindingDB Entry DOI: 10.7270/Q2X06991
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B [719-832]


(Homo sapiens (Human))		BDBM311510
PNG
(CHEM-US-00230 | US10155764, Example 85)
Show SMILES CNC(=O)c1ccc(cc1)[C@@H]([C@H](C)Nc1nn(C)c(=O)c2cccnc12)N(C)C |r|
Show InChI InChI=1S/C21H26N6O2/c1-13(18(26(3)4)14-8-10-15(11-9-14)20(28)22-2)24-19-17-16(7-6-12-23-17)21(29)27(5)25-19/h6-13,18H,1-5H3,(H,22,28)(H,24,25)/t13-,18+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



GENENTECH, INC; CONSTELLATION PHARMACEUTICALS, INC.

US Patent


Assay Description
His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition o...

US Patent US10155764 (2018)


BindingDB Entry DOI: 10.7270/Q25M67T9
More data for this
Ligand-Target Pair
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