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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 2551   
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))		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))		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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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))		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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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))		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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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))		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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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))		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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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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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))		BDBM371533
PNG
(4-bromo-2-methyl-5-((1-methylazepan-3-yl)amino)pyr...)
Show SMILES CN1CCCCC(C1)Nc1cnn(C)c(=O)c1Br
Show InChI InChI=1S/C12H19BrN4O/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
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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))		BDBM50234945
PNG
(CHEMBL4061142 | US10239861, Example 59)
Show SMILES CN1CCC[C@@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m0/s1
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n/an/a 51.2n/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))		BDBM371545
PNG
(4-chloro-5-((1,6-dimethylpiperidin-3-yl)amino)-2-m...)
Show SMILES CC1CCC(CN1C)Nc1cnn(C)c(=O)c1Cl
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
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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))		BDBM371521
PNG
(4-chloro-2-methyl-5-((1-methylazepan-3-yl)amino)py...)
Show SMILES CN1CCCCC(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
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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))		BDBM50234943
PNG
(CHEMBL4099456 | US10239861, Example 3)
Show SMILES CN1CCCC(C1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3
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n/an/a 85n/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		3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM371527
PNG
((R)-5-((1-benzylpiperidin-3-yl)amino)-4-chloro-2-m...)
Show SMILES Cn1ncc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C17H21ClN4O/c1-21-17(23)16(18)15(10-19-21)20-14-8-5-9-22(12-14)11-13-6-3-2-4-7-13/h2-4,6-7,10,14,20H,5,8-9,11-12H2,1H3/t14-/m1/s1
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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))		BDBM371564
PNG
(4-chloro-5-[[1-[[3-(difluoromethoxy)phenyl]methyl]...)
Show SMILES Cn1ncc(NC2CCCN(Cc3cccc(OC(F)F)c3)C2)c(Cl)c1=O
Show InChI InChI=1S/C18H21ClF2N4O2/c1-24-17(26)16(19)15(9-22-24)23-13-5-3-7-25(11-13)10-12-4-2-6-14(8-12)27-18(20)21/h2,4,6,8-9,13,18,23H,3,5,7,10-11H2,1H3
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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))		BDBM371559
PNG
((R)-4-chloro-2-methyl-5-((2,3,4,5-tetrahydro-1H-be...)
Show SMILES Cn1ncc(Cl)c(N[C@@H]2Cc3ccccc3CNC2=O)c1=O |r|
Show InChI InChI=1S/C15H15ClN4O2/c1-20-15(22)13(11(16)8-18-20)19-12-6-9-4-2-3-5-10(9)7-17-14(12)21/h2-5,8,12,19H,6-7H2,1H3,(H,17,21)/t12-/m1/s1
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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))		BDBM371576
PNG
(4-chloro-5-[[1-[(4-fluorophenyl)methyl]-3-piperidy...)
Show SMILES Cn1ncc(NC2CCCN(Cc3ccc(F)cc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C17H20ClFN4O/c1-22-17(24)16(18)15(9-20-22)21-14-3-2-8-23(11-14)10-12-4-6-13(19)7-5-12/h4-7,9,14,21H,2-3,8,10-11H2,1H3
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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))		BDBM371547
PNG
(US10239861, Example 27)
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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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))		BDBM371552
PNG
(4-chloro-5-((1-isopropylpiperidin-3-yl)amino)-2-me...)
Show SMILES CC(C)N1CCCC(C1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C13H21ClN4O/c1-9(2)18-6-4-5-10(8-18)16-11-7-15-17(3)13(19)12(11)14/h7,9-10,16H,4-6,8H2,1-3H3
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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))		BDBM371560
PNG
(4-chloro-2-methyl-5-((1-methylazocan-3-yl)amino)py...)
Show SMILES CN1CCCCCC(C1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C13H21ClN4O/c1-17-7-5-3-4-6-10(9-17)16-11-8-15-18(2)13(19)12(11)14/h8,10,16H,3-7,9H2,1-2H3
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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))		BDBM371554
PNG
(US10239861, Example 34 | racemic-5-((1-benzylpiper...)
Show SMILES Cn1ncc(NC2CCCN(Cc3ccccc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C17H21ClN4O/c1-21-17(23)16(18)15(10-19-21)20-14-8-5-9-22(12-14)11-13-6-3-2-4-7-13/h2-4,6-7,10,14,20H,5,8-9,11-12H2,1H3
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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))		BDBM371521
PNG
(4-chloro-2-methyl-5-((1-methylazepan-3-yl)amino)py...)
Show SMILES CN1CCCCC(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
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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))		BDBM371544
PNG
(4-chloro-2-methyl-5-((1-methyl-5-phenylpiperidin-3...)
Show SMILES CN1CC(CC(C1)c1ccccc1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C17H21ClN4O/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
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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))		BDBM371578
PNG
((R)-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-/m1/s1
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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))		BDBM371548
PNG
(US10239861, Example 28)
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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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))		BDBM371569
PNG
(4-chloro-5-[[1-(1H-imidazol-4-ylmethyl)-3-piperidy...)
Show SMILES Cn1ncc(NC2CCCN(Cc3c[nH]cn3)C2)c(Cl)c1=O
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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))		BDBM371524
PNG
((racemic)-4-chloro-2-methyl-5-((1-methylazepan-4-y...)
Show SMILES CN1CCCC(CC1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C12H19ClN4O/c1-16-6-3-4-9(5-7-16)15-10-8-14-17(2)12(18)11(10)13/h8-9,15H,3-7H2,1-2H3
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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))		BDBM371561
PNG
(Racemic-4-chloro-2-methyl-5-[[1-(3-phenylpropyl)-3...)
Show SMILES Cn1ncc(NC2CCCN(CCCc3ccccc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C19H25ClN4O/c1-23-19(25)18(20)17(13-21-23)22-16-10-6-12-24(14-16)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,13,16,22H,5-6,9-12,14H2,1H3
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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))		BDBM50234944
PNG
(CHEMBL4072538 | US10239861, Example 60)
Show SMILES CN1CCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
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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		3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM371566
PNG
(4-chloro-5-((1-(3,5-dichlorobenzyl)piperidin-3-yl)...)
Show SMILES Cn1ncc(NC2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)c(Cl)c1=O
Show InChI InChI=1S/C17H19Cl3N4O/c1-23-17(25)16(20)15(8-21-23)22-14-3-2-4-24(10-14)9-11-5-12(18)7-13(19)6-11/h5-8,14,22H,2-4,9-10H2,1H3
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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))		BDBM371563
PNG
(4-chloro-5-[[1-[(4-dimethylaminophenyl)methyl]-3-p...)
Show SMILES CN(C)c1ccc(CN2CCCC(C2)Nc2cnn(C)c(=O)c2Cl)cc1
Show InChI InChI=1S/C19H26ClN5O/c1-23(2)16-8-6-14(7-9-16)12-25-10-4-5-15(13-25)22-17-11-21-24(3)19(26)18(17)20/h6-9,11,15,22H,4-5,10,12-13H2,1-3H3
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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))		BDBM371537
PNG
((E)-2-(but-2-en-1-yl)-4-chloro-5-((1-methylazepan-...)
Show SMILES C\C=C\CN1NC=C(NC2CCCCN(C)C2)C(Cl)=C1 |c:19,t:6|
Show InChI InChI=1S/C15H25ClN4/c1-3-4-9-20-12-14(16)15(10-17-20)18-13-7-5-6-8-19(2)11-13/h3-4,10,12-13,17-18H,5-9,11H2,1-2H3/b4-3+
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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))		BDBM371550
PNG
(4-chloro-5-((1-(2-methoxyethyl)piperidin-3-yl)amin...)
Show SMILES COCCN1CCCC(C1)Nc1cnn(C)c(=O)c1Cl
Show InChI InChI=1S/C13H21ClN4O2/c1-17-13(19)12(14)11(8-15-17)16-10-4-3-5-18(9-10)6-7-20-2/h8,10,16H,3-7,9H2,1-2H3
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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))		BDBM371528
PNG
((S)-5-((1-benzylpiperidin-3-yl)amino)-4-chloro-2-m...)
Show SMILES Cn1ncc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C17H21ClN4O/c1-21-17(23)16(18)15(10-19-21)20-14-8-5-9-22(12-14)11-13-6-3-2-4-7-13/h2-4,6-7,10,14,20H,5,8-9,11-12H2,1H3/t14-/m0/s1
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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))		BDBM371571
PNG
(4-chloro-2-methyl-5-[[1-[(1-methylpyrazol-4-yl)met...)
Show SMILES Cn1cc(CN2CCCC(C2)Nc2cnn(C)c(=O)c2Cl)cn1
Show InChI InChI=1S/C15H21ClN6O/c1-20-8-11(6-17-20)9-22-5-3-4-12(10-22)19-13-7-18-21(2)15(23)14(13)16/h6-8,12,19H,3-5,9-10H2,1-2H3
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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))		BDBM371568
PNG
(4-chloro-5-[[1-(1H-imidazol-2-ylmethyl)-3-piperidy...)
Show SMILES Cn1ncc(NC2CCCN(Cc3ncc[nH]3)C2)c(Cl)c1=O
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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))		BDBM371565
PNG
(4-chloro-5-[[1-[(4-imidazol-1-ylphenyl)methyl]-3-p...)
Show SMILES Cn1ncc(NC2CCCN(Cc3ccc(cc3)-n3ccnc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C20H23ClN6O/c1-25-20(28)19(21)18(11-23-25)24-16-3-2-9-26(13-16)12-15-4-6-17(7-5-15)27-10-8-22-14-27/h4-8,10-11,14,16,24H,2-3,9,12-13H2,1H3
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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))		BDBM371529
PNG
(4-chloro-2-methyl-5-((1-(pyridin-2-yl)piperidin-3-...)
Show SMILES Cn1ncc(NC2CCCN(C2)c2ccccn2)c(Cl)c1=O
Show InChI InChI=1S/C15H18ClN5O/c1-20-15(22)14(16)12(9-18-20)19-11-5-4-8-21(10-11)13-6-2-3-7-17-13/h2-3,6-7,9,11,19H,4-5,8,10H2,1H3
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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))		BDBM371535
PNG
(4-chloro-2-ethyl-5-((1-methylazepan-3-yl)amino)pyr...)
Show SMILES CCn1ncc(NC2CCCCN(C)C2)c(Cl)c1=O
Show InChI InChI=1S/C13H21ClN4O/c1-3-18-13(19)12(14)11(8-15-18)16-10-6-4-5-7-17(2)9-10/h8,10,16H,3-7,9H2,1-2H3
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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))		BDBM371536
PNG
(4-chloro-2-(cyclopropylmethyl)-5((1-methylazepan-3...)
Show SMILES CN1CCCCC(C1)Nc1cnn(CC2CC2)c(=O)c1Cl
Show InChI InChI=1S/C15H23ClN4O/c1-19-7-3-2-4-12(10-19)18-13-8-17-20(9-11-5-6-11)15(21)14(13)16/h8,11-12,18H,2-7,9-10H2,1H3
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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))		BDBM371573
PNG
(4-chloro-2-methyl-5-[[1-[(5-methyl-3-pyridyl)methy...)
Show SMILES Cc1cncc(CN2CCCC(C2)Nc2cnn(C)c(=O)c2Cl)c1
Show InChI InChI=1S/C17H22ClN5O/c1-12-6-13(8-19-7-12)10-23-5-3-4-14(11-23)21-15-9-20-22(2)17(24)16(15)18/h6-9,14,21H,3-5,10-11H2,1-2H3
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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))		BDBM371575
PNG
(4-chloro-5-[[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazo...)
Show SMILES Cn1ncc(NC2CCCN(Cc3nc(no3)-c3ccc(Cl)cc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C19H20Cl2N6O2/c1-26-19(28)17(21)15(9-22-26)23-14-3-2-8-27(10-14)11-16-24-18(25-29-16)12-4-6-13(20)7-5-12/h4-7,9,14,23H,2-3,8,10-11H2,1H3
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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))		BDBM371525
PNG
(4-chloro-2-methyl-5-(((1R,3r,5S)-8-methyl-8-azabic...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)Nc1cnn(C)c(=O)c1Cl |TLB:0:1:6.7.8:3.4|
Show InChI InChI=1S/C13H19ClN4O/c1-17-9-3-4-10(17)6-8(5-9)16-11-7-15-18(2)13(19)12(11)14/h7-10,16H,3-6H2,1-2H3/t8-,9+,10-
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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))		BDBM371526
PNG
(4-chloro-2-methyl-5-(((1R,3s,5S)-8-methyl-8-azabic...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1cnn(C)c(=O)c1Cl |TLB:0:1:6.7.8:3.4|
Show InChI InChI=1S/C13H19ClN4O/c1-17-9-3-4-10(17)6-8(5-9)16-11-7-15-18(2)13(19)12(11)14/h7-10,16H,3-6H2,1-2H3/t8-,9-,10+
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n/an/a 492n/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))		BDBM371570
PNG
(4-chloro-2-methyl-5-[[1-(pyrimidin-5-ylmethyl)-3-p...)
Show SMILES Cn1ncc(NC2CCCN(Cc3cncnc3)C2)c(Cl)c1=O
Show InChI InChI=1S/C15H19ClN6O/c1-21-15(23)14(16)13(7-19-21)20-12-3-2-4-22(9-12)8-11-5-17-10-18-6-11/h5-7,10,12,20H,2-4,8-9H2,1H3
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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))		BDBM371556
PNG
(4-chloro-2-methyl-5-((1-((S)-1-phenylethyl)piperid...)
Show SMILES C[C@H](N1CCCC(C1)Nc1cnn(C)c(=O)c1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C18H23ClN4O/c1-13(14-7-4-3-5-8-14)23-10-6-9-15(12-23)21-16-11-20-22(2)18(24)17(16)19/h3-5,7-8,11,13,15,21H,6,9-10,12H2,1-2H3/t13-,15?/m0/s1
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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))		BDBM371555
PNG
(4-chloro-2-methyl-5-((1-((R)-1-phenylethyl)piperid...)
Show SMILES C[C@@H](N1CCCC(C1)Nc1cnn(C)c(=O)c1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C18H23ClN4O/c1-13(14-7-4-3-5-8-14)23-10-6-9-15(12-23)21-16-11-20-22(2)18(24)17(16)19/h3-5,7-8,11,13,15,21H,6,9-10,12H2,1-2H3/t13-,15?/m1/s1
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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))		BDBM371543
PNG
(4-chloro-5-(((3S,5R)-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+/m1/s1
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n/an/a 902n/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))		BDBM371567
PNG
(4-chloro-2-methyl-5-[[1-[(2-morpholinophenyl)methy...)
Show SMILES Cn1ncc(NC2CCCN(Cc3ccccc3N3CCOCC3)C2)c(Cl)c1=O
Show InChI InChI=1S/C21H28ClN5O2/c1-25-21(28)20(22)18(13-23-25)24-17-6-4-8-26(15-17)14-16-5-2-3-7-19(16)27-9-11-29-12-10-27/h2-3,5,7,13,17,24H,4,6,8-12,14-15H2,1H3
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n/an/a 921n/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))		BDBM371557
PNG
(US10239861, Example 37)
Show SMILES Cn1ncc(N[C@@H]2CCCCN(Cc3ccccc3)C2)c(Cl)c1=O |r|
Show InChI InChI=1S/C18H23ClN4O/c1-22-18(24)17(19)16(11-20-22)21-15-9-5-6-10-23(13-15)12-14-7-3-2-4-8-14/h2-4,7-8,11,15,21H,5-6,9-10,12-13H2,1H3/t15-/m1/s1
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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))		BDBM371530
PNG
((racemic)-4-chloro-2-methyl-5-(quinuclidin-3-ylami...)
Show SMILES Cn1ncc(NC2CN3CCC2CC3)c(Cl)c1=O |(4.67,-.77,;3.33,,;3.33,1.54,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-3.33,-.77,;-3.97,.19,;-3.97,1.35,;-3.33,2.31,;-4.67,1.54,;-4.67,,;.67,,;-.67,-.77,;2,-.77,;2,-2.31,)|
Show InChI InChI=1S/C12H17ClN4O/c1-16-12(18)11(13)9(6-14-16)15-10-7-17-4-2-8(10)3-5-17/h6,8,10,15H,2-5,7H2,1H3
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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
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