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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with Target = 'Histone acetyltransferase KAT2A/KAT2B' AND taxid = 9606   
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 PCAF


(Homo sapiens)
BDBM50443232
PNG
(CHEMBL3086883)
Show SMILES Cc1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
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 PCAF


(Homo sapiens)
BDBM50151650
PNG
(CHEMBL3775229)
Show SMILES CNC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(O)=O)C(C)O)C(C)O)C(C)O
Show InChI InChI=1S/C116H205N42O45P3S/c1-56(2)46-72(102(181)145-66(27-20-39-132-112(122)123)94(173)141-59(6)93(172)155-84(62(9)161)106(185)149-71(32-34-78(120)164)99(178)144-65(25-15-18-37-118)101(180)156-85(63(10)162)107(186)148-67(28-21-40-133-113(124)125)95(174)140-58(5)92(171)128-13)150-103(182)74(50-159)152-105(184)83(61(8)160)154-81(167)49-135-80(166)48-136-115(191)153-69(96(175)142-60(7)109(188)157-44-23-30-75(157)104(183)147-68(29-22-41-134-114(126)127)98(177)143-64(24-14-17-36-117)97(176)146-70(31-33-77(119)163)100(179)151-73(111(189)190)47-57(3)4)26-16-19-38-129-82(168)52-207-45-43-130-79(165)35-42-131-108(187)89(170)116(11,12)53-200-206(197,198)203-205(195,196)199-51-76-88(202-204(192,193)194)87(169)110(201-76)158-55-139-86-90(121)137-54-138-91(86)158/h54-76,83-85,87-89,110,159-162,169-170H,14-53,117-118H2,1-13H3,(H2,119,163)(H2,120,164)(H,128,171)(H,129,168)(H,130,165)(H,131,187)(H,135,166)(H,140,174)(H,141,173)(H,142,175)(H,143,177)(H,144,178)(H,145,181)(H,146,176)(H,147,183)(H,148,186)(H,149,185)(H,150,182)(H,151,179)(H,152,184)(H,154,167)(H,155,172)(H,156,180)(H,189,190)(H,195,196)(H,197,198)(H2,121,137,138)(H4,122,123,132)(H4,124,125,133)(H4,126,127,134)(H2,136,153,191)(H2,192,193,194)/t58-,59-,60-,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76?,83-,84-,85-,87?,88+,89-,110?/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human FLAG-tagged PCAF expressed in baculovirus expression system using histone substrate incubated for 10 mins...


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A


(Homo sapiens)
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a<316n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human GCN5 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346554
PNG
(CHEMBL106011)
Show SMILES Fc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7FN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 720n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346563
PNG
(CHEMBL1795605)
Show SMILES [O-][N+](=O)c1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C12H6BrN3O3S/c13-7-1-3-8(4-2-7)15-12(17)10-5-9(16(18)19)6-14-11(10)20-15/h1-6H
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n/an/a 860n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247911
PNG
(2-(4-Pyridyl)-isothiazol-3(2H)-one | CHEMBL499919)
Show SMILES O=c1ccsn1-c1ccncc1
Show InChI InChI=1S/C8H6N2OS/c11-8-3-6-12-10(8)7-1-4-9-5-2-7/h1-6H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by filter assay


Bioorg Med Chem 17: 467-74 (2009)


Article DOI: 10.1016/j.bmc.2008.11.079
BindingDB Entry DOI: 10.7270/Q2H70GRB
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50398244
PNG
(CHEMBL609728)
Show SMILES Cc1ccc(NCCCN)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H15N3O2/c1-8-3-4-9(12-6-2-5-11)10(7-8)13(14)15/h3-4,7,12H,2,5-6,11H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of biotinylated Tat-KAc50 peptide binding to PCAF


J Med Chem 55: 9393-413 (2012)


Article DOI: 10.1021/jm300915b
BindingDB Entry DOI: 10.7270/Q25B03NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346554
PNG
(CHEMBL106011)
Show SMILES Fc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7FN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 1.64E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50445037
PNG
(CHEMBL3098704)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](COP(O)(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCn1cc(CSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)nn1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C78H137N31O34P4S/c1-41(96-44(4)111)65(118)100-49(19-13-25-89-76(83)84)68(121)101-48(17-8-11-24-80)69(122)103-51(35-138-144(128,129)130)70(123)104-57(43(3)110)72(125)92-32-55(113)91-33-56(114)98-47(66(119)97-42(2)74(127)108-30-15-21-52(108)71(124)102-50(20-14-26-90-77(85)86)67(120)99-46(63(82)117)16-7-10-23-79)18-9-12-29-107-34-45(105-106-107)37-148-31-28-87-54(112)22-27-88-73(126)61(116)78(5,6)38-140-147(136,137)143-146(134,135)139-36-53-60(142-145(131,132)133)59(115)75(141-53)109-40-95-58-62(81)93-39-94-64(58)109/h34,39-43,46-53,57,59-61,75,110,115-116H,7-33,35-38,79-80H2,1-6H3,(H2,82,117)(H,87,112)(H,88,126)(H,91,113)(H,92,125)(H,96,111)(H,97,119)(H,98,114)(H,99,120)(H,100,118)(H,101,121)(H,102,124)(H,103,122)(H,104,123)(H,134,135)(H,136,137)(H2,81,93,94)(H4,83,84,89)(H4,85,86,90)(H2,128,129,130)(H2,131,132,133)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53+,57-,59+,60+,61+,75+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Inhibition of PCAF (unknown origin) using histone H3 derived peptide as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 24: 113-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.060
BindingDB Entry DOI: 10.7270/Q2WD4222
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247839
PNG
(CHEMBL447612 | methyl 3-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C7H8ClNO3S/c1-12-7(11)2-3-9-6(10)4-5(8)13-9/h4H,2-3H2,1H3
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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 human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247839
PNG
(CHEMBL447612 | methyl 3-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C7H8ClNO3S/c1-12-7(11)2-3-9-6(10)4-5(8)13-9/h4H,2-3H2,1H3
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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 human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346555
PNG
(CHEMBL1795609)
Show SMILES COc1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S/c1-20-10-4-2-8(3-5-10)15-13(17)11-6-9(16(18)19)7-14-12(11)21-15/h2-7H,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247843
PNG
(CHEMBL510872 | Ethyl 3-(5-chloro-3-oxoisothiazol-2...)
Show SMILES CCOC(=O)CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C8H10ClNO3S/c1-2-13-8(12)3-4-10-7(11)5-6(9)14-10/h5H,2-4H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50255522
PNG
(Ac-ARTKQTARKSTGGK(CoA)APRKQL | CHEMBL526343)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C116H205N42O45P3S/c1-57(2)48-74(112(190)191)152-101(180)72(32-34-78(120)164)148-96(175)66(24-12-16-37-117)146-99(178)70(29-21-42-133-114(125)126)150-105(184)76-31-23-46-157(76)110(189)60(5)142-95(174)65(27-15-19-40-129-83(169)53-207-47-45-130-80(166)36-44-131-109(188)90(171)116(10,11)54-200-206(197,198)203-205(195,196)199-52-77-89(202-204(192,193)194)88(170)111(201-77)158-56-139-87-91(122)137-55-138-92(87)158)143-82(168)50-135-81(167)49-136-106(185)84(61(6)160)154-104(183)75(51-159)153-100(179)67(25-13-17-38-118)147-98(177)69(28-20-41-132-113(123)124)144-94(173)59(4)141-107(186)85(62(7)161)155-103(182)73(33-35-79(121)165)149-97(176)68(26-14-18-39-119)151-108(187)86(63(8)162)156-102(181)71(30-22-43-134-115(127)128)145-93(172)58(3)140-64(9)163/h55-63,65-77,84-86,88-90,111,159-162,170-171H,12-54,117-119H2,1-11H3,(H2,120,164)(H2,121,165)(H,129,169)(H,130,166)(H,131,188)(H,135,167)(H,136,185)(H,140,163)(H,141,186)(H,142,174)(H,143,168)(H,144,173)(H,145,172)(H,146,178)(H,147,177)(H,148,175)(H,149,176)(H,150,184)(H,151,187)(H,152,180)(H,153,179)(H,154,183)(H,155,182)(H,156,181)(H,190,191)(H,195,196)(H,197,198)(H2,122,137,138)(H4,123,124,132)(H4,125,126,133)(H4,127,128,134)(H2,192,193,194)/t58-,59-,60-,61+,62+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,84-,85-,86-,88+,89+,90-,111+/m0/s1
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n/an/a 2.27E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of PCAF HAT domain (493-658) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50300427
PNG
(4,5-Dichloro-2-ethylisothiazol-3(2H)-one | CHEMBL5...)
Show SMILES CCn1sc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C5H5Cl2NOS/c1-2-8-5(9)3(6)4(7)10-8/h2H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247840
PNG
(CHEMBL489116 | Methyl 4-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C8H10ClNO3S/c1-13-8(12)3-2-4-10-7(11)5-6(9)14-10/h5H,2-4H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247844
PNG
(5-Chloro-2-(3-chloro-4-fluorophenyl)isothiazol-3(2...)
Show SMILES Fc1ccc(cc1Cl)-n1sc(Cl)cc1=O
Show InChI InChI=1S/C9H4Cl2FNOS/c10-6-3-5(1-2-7(6)12)13-9(14)4-8(11)15-13/h1-4H
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247845
PNG
(Benzyl [2-(5-chloro-3-oxoisothiazol-2(3H)-yl)ethyl...)
Show SMILES Clc1cc(=O)n(CCNC(=O)OCc2ccccc2)s1
Show InChI InChI=1S/C13H13ClN2O3S/c14-11-8-12(17)16(20-11)7-6-15-13(18)19-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,15,18)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50300425
PNG
(CHEMBL573028 | Methyl 3-(4,5-dichloro-3-oxoisothia...)
Show SMILES COC(=O)CCn1sc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C7H7Cl2NO3S/c1-13-4(11)2-3-10-7(12)5(8)6(9)14-10/h2-3H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346556
PNG
(CHEMBL1795611)
Show SMILES Cc1cnc2sn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2c1
Show InChI InChI=1S/C13H9N3O3S/c1-8-6-11-12(14-7-8)20-15(13(11)17)9-2-4-10(5-3-9)16(18)19/h2-7H,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50445038
PNG
(CHEMBL3098705)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCn1cc(CSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)nn1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C78H136N31O31P3S/c1-41(96-44(4)112)65(119)100-49(19-13-25-89-76(83)84)68(122)101-48(17-8-11-24-80)69(123)103-51(35-110)70(124)104-57(43(3)111)72(126)92-32-55(114)91-33-56(115)98-47(66(120)97-42(2)74(128)108-30-15-21-52(108)71(125)102-50(20-14-26-90-77(85)86)67(121)99-46(63(82)118)16-7-10-23-79)18-9-12-29-107-34-45(105-106-107)37-144-31-28-87-54(113)22-27-88-73(127)61(117)78(5,6)38-137-143(134,135)140-142(132,133)136-36-53-60(139-141(129,130)131)59(116)75(138-53)109-40-95-58-62(81)93-39-94-64(58)109/h34,39-43,46-53,57,59-61,75,110-111,116-117H,7-33,35-38,79-80H2,1-6H3,(H2,82,118)(H,87,113)(H,88,127)(H,91,114)(H,92,126)(H,96,112)(H,97,120)(H,98,115)(H,99,121)(H,100,119)(H,101,122)(H,102,125)(H,103,123)(H,104,124)(H,132,133)(H,134,135)(H2,81,93,94)(H4,83,84,89)(H4,85,86,90)(H2,129,130,131)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53+,57-,59+,60+,61+,75+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Inhibition of PCAF (unknown origin) using histone H3 derived peptide as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 24: 113-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.060
BindingDB Entry DOI: 10.7270/Q2WD4222
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247841
PNG
(CHEMBL443133 | Methyl 4-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C9H12ClNO3S/c1-14-9(13)4-2-3-5-11-8(12)6-7(10)15-11/h6H,2-5H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247837
PNG
(5-Chloro-2-pentylisothiazol-3(2H)-one | CHEMBL4891...)
Show SMILES CCCCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C8H12ClNOS/c1-2-3-4-5-10-8(11)6-7(9)12-10/h6H,2-5H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247838
PNG
(CHEMBL466866 | Methyl 2-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)Cn1sc(Cl)cc1=O
Show InChI InChI=1S/C6H6ClNO3S/c1-11-6(10)3-8-5(9)2-4(7)12-8/h2H,3H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346557
PNG
(CHEMBL99137)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7H
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n/an/a 2.99E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346561
PNG
(CHEMBL1795604)
Show SMILES Cc1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C13H9BrN2OS/c1-8-6-11-12(15-7-8)18-16(13(11)17)10-4-2-9(14)3-5-10/h2-7H,1H3
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n/an/a 2.99E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247820
PNG
(5-Chloro-2-ethylisothiazol-3(2H)-one | CHEMBL46147...)
Show SMILES CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C5H6ClNOS/c1-2-7-5(8)3-4(6)9-7/h3H,2H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247820
PNG
(5-Chloro-2-ethylisothiazol-3(2H)-one | CHEMBL46147...)
Show SMILES CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C5H6ClNOS/c1-2-7-5(8)3-4(6)9-7/h3H,2H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247615
PNG
(2-(3,4,5-trifluorophenyl)isothiazol-3(2H)-one | CH...)
Show SMILES Fc1cc(cc(F)c1F)-n1sccc1=O
Show InChI InChI=1S/C9H4F3NOS/c10-6-3-5(4-7(11)9(6)12)13-8(14)1-2-15-13/h1-4H
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n/an/a 3.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by filter assay


Bioorg Med Chem 17: 467-74 (2009)


Article DOI: 10.1016/j.bmc.2008.11.079
BindingDB Entry DOI: 10.7270/Q2H70GRB
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247842
PNG
(CHEMBL442599 | Methyl 6-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCCCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C10H14ClNO3S/c1-15-10(14)5-3-2-4-6-12-9(13)7-8(11)16-12/h7H,2-6H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346555
PNG
(CHEMBL1795609)
Show SMILES COc1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S/c1-20-10-4-2-8(3-5-10)15-13(17)11-6-9(16(18)19)7-14-12(11)21-15/h2-7H,1H3
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n/an/a 3.42E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346567
PNG
(CHEMBL318367)
Show SMILES Clc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7ClN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 3.53E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346579
PNG
(CHEMBL1795800)
Show SMILES Cc1ccc(cc1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-2-5-11(6-3-9)16-14(17)12-7-4-10(15)8-13(12)18-16/h2-8H,1H3
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n/an/a 3.69E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346557
PNG
(CHEMBL99137)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247868
PNG
(2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one | ...)
Show SMILES Fc1ccc(cc1Cl)-n1sccc1=O
Show InChI InChI=1S/C9H5ClFNOS/c10-7-5-6(1-2-8(7)11)12-9(13)3-4-14-12/h1-5H
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346562
PNG
(CHEMBL101422)
Show SMILES Brc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7BrN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 4.43E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346568
PNG
(CHEMBL1795614)
Show SMILES Clc1ccc(cc1Cl)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H6Cl2N2OS/c13-9-4-3-7(6-10(9)14)16-12(17)8-2-1-5-15-11(8)18-16/h1-6H
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n/an/a 4.57E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346570
PNG
(CHEMBL1795616)
Show SMILES Cc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)15-13(16)11-3-2-8-14-12(11)17-15/h2-8H,1H3
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n/an/a 4.63E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346580
PNG
(CHEMBL1795796)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)-n1sccc1=O
Show InChI InChI=1S/C9H5ClN2O3S/c10-7-2-1-6(5-8(7)12(14)15)11-9(13)3-4-16-11/h1-5H
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n/an/a 4.80E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247871
PNG
(CHEMBL521965 | Methyl 3-[4-{[(benzyloxy)carbonyl]a...)
Show SMILES COC(=O)CCn1sc(Cl)c(NC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C15H15ClN2O5S/c1-22-11(19)7-8-18-14(20)12(13(16)24-18)17-15(21)23-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346563
PNG
(CHEMBL1795605)
Show SMILES [O-][N+](=O)c1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C12H6BrN3O3S/c13-7-1-3-8(4-2-7)15-12(17)10-5-9(16(18)19)6-14-11(10)20-15/h1-6H
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n/an/a 4.91E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50151653
PNG
(CHEMBL3774884)
Show SMILES CC(C)\C=C\[C@@H](C[C@@]12C[C@@H](\C=C/C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)=C
Show InChI InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-17,19,22-23,27-28,39-40,42H,7,18,20-21H2,1-6,8-10H3/b13-11+,15-12-/t27-,28+,37+,38-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human FLAG-tagged PCAF expressed in baculovirus infected Sf21 cells using N-terminal H3 peptide substrate after...


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50240436
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human FLAG-tagged PCAF expressed in baculovirus infected Sf21 cells using N-terminal H3 peptide substrate after...


J Med Chem 59: 1249-70 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01502
BindingDB Entry DOI: 10.7270/Q2DV1MRN
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346571
PNG
(CHEMBL102387)
Show SMILES COc1cccc(c1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2O2S/c1-17-10-5-2-4-9(8-10)15-13(16)11-6-3-7-14-12(11)18-15/h2-8H,1H3
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n/an/a 5.03E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247616
PNG
(2-(3-chloro-2-fluorophenyl)isothiazol-3(2H)-one | ...)
Show SMILES Fc1c(Cl)cccc1-n1sccc1=O
Show InChI InChI=1S/C9H5ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14-12/h1-5H
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n/an/a 5.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by filter assay


Bioorg Med Chem 17: 467-74 (2009)


Article DOI: 10.1016/j.bmc.2008.11.079
BindingDB Entry DOI: 10.7270/Q2H70GRB
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247912
PNG
(2-(4-Dimethylaminoaniline)-isothiazol-3(2H)-one | ...)
Show SMILES CN(C)c1ccc(cc1)-n1sccc1=O
Show InChI InChI=1S/C11H12N2OS/c1-12(2)9-3-5-10(6-4-9)13-11(14)7-8-15-13/h3-8H,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by filter assay


Bioorg Med Chem 17: 467-74 (2009)


Article DOI: 10.1016/j.bmc.2008.11.079
BindingDB Entry DOI: 10.7270/Q2H70GRB
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247869
PNG
(CHEMBL509992 | methyl 3-(5-chloro-1-oxido-3-oxoiso...)
Show SMILES COC(=O)CCn1c(=O)cc(Cl)s1=O
Show InChI InChI=1S/C7H8ClNO4S/c1-13-7(11)2-3-9-6(10)4-5(8)14(9)12/h4H,2-3H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50247869
PNG
(CHEMBL509992 | methyl 3-(5-chloro-1-oxido-3-oxoiso...)
Show SMILES COC(=O)CCn1c(=O)cc(Cl)s1=O
Show InChI InChI=1S/C7H8ClNO4S/c1-13-7(11)2-3-9-6(10)4-5(8)14(9)12/h4H,2-3H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346565
PNG
(CHEMBL95284)
Show SMILES COc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2O2S/c1-17-10-6-4-9(5-7-10)15-13(16)11-3-2-8-14-12(11)18-15/h2-8H,1H3
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n/an/a 5.71E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346569
PNG
(CHEMBL1795615)
Show SMILES Fc1ccc(cc1F)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H6F2N2OS/c13-9-4-3-7(6-10(9)14)16-12(17)8-2-1-5-15-11(8)18-16/h1-6H
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n/an/a 5.90E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
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