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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50038760   
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 p300


(Homo sapiens (Human))
BDBM50255529
PNG
(Ac-Lys(CoA)-NH2 | CHEMBL505121)
Show SMILES CC(=O)N[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)C(N)=O |r|
Show InChI InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 KAT2B


(Homo sapiens (Human))
BDBM50255522
PNG
(Ac-ARTKQTARKSTGGK(CoA)APRKQL | CHEMBL526343)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 p300


(Homo sapiens (Human))
BDBM50255524
PNG
(Ac-SGRGK(CoA)GGKGLGKGGAKRHRK | CHEMBL505605)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=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)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,65.64,67.76,29.88,108.113,153.155,93.103,174.177,wD:68.68,70.71,49.49,144.146,12.17,164.166,4.4,185.188,122.124,(32.95,-10.85,;32.95,-9.29,;34.26,-8.53,;31.63,-8.53,;31.63,-6.98,;30.31,-6.18,;28.99,-6.97,;28.99,-8.52,;27.64,-6.19,;26.3,-6.95,;24.94,-6.21,;24.94,-4.69,;23.63,-6.97,;23.63,-8.52,;24.94,-9.28,;24.94,-10.84,;26.26,-11.59,;26.25,-13.1,;22.32,-6.16,;21.02,-6.99,;21.02,-8.55,;19.66,-6.21,;18.3,-6.93,;16.95,-6.2,;16.95,-4.67,;15.63,-6.95,;14.32,-6.15,;13.03,-6.99,;13.03,-8.54,;11.68,-6.2,;11.68,-4.69,;13.03,-3.91,;13.03,-2.39,;14.37,-1.62,;14.37,-.08,;15.75,.61,;17.08,-.16,;15.75,2.15,;17.08,2.92,;18.42,3.69,;18.42,5.23,;19.76,6.01,;21.09,5.23,;21.09,3.69,;22.42,6.01,;23.77,5.23,;25.1,6.01,;25.1,7.55,;23.77,8.33,;26.43,8.33,;26.43,9.86,;27.77,7.55,;29.11,6.77,;28.54,8.89,;27,6.21,;27.77,4.88,;27,3.53,;26.23,2.2,;25.66,4.31,;28.33,2.77,;28.33,1.22,;28.33,-.32,;26.79,1.22,;29.88,1.22,;30.64,2.56,;32.19,2.56,;33.1,3.81,;34.56,3.33,;34.56,1.79,;35.81,.88,;33.1,1.32,;32.62,-.15,;33.65,-1.29,;34.68,-2.44,;32.5,-2.33,;34.8,-.26,;35.81,4.24,;35.81,5.78,;37.28,6.26,;38.18,5.01,;39.71,4.85,;40.62,6.1,;40.34,3.44,;39.44,2.19,;37.9,2.36,;37.28,3.76,;10.29,-6.87,;8.9,-6.2,;8.9,-4.68,;7.58,-6.96,;6.26,-6.17,;4.94,-6.96,;4.94,-8.51,;3.59,-6.18,;3.59,-4.66,;4.94,-3.88,;4.94,-2.37,;6.27,-1.6,;6.25,-.06,;4.94,.8,;7.61,.79,;2.23,-6.9,;.86,-6.19,;.86,-4.67,;-.47,-6.95,;-1.76,-6.12,;-3.06,-6.95,;-3.06,-8.48,;-4.39,-6.18,;-4.39,-4.63,;-3.02,-3.68,;-5.77,-6.86,;-7.14,-6.17,;-8.48,-6.94,;-7.14,-4.63,;32.95,-6.22,;32.95,-4.7,;34.29,-6.96,;35.63,-6.2,;36.98,-6.97,;36.98,-8.53,;38.31,-6.2,;39.64,-6.98,;39.64,-8.53,;40.96,-9.29,;40.96,-10.85,;42.28,-11.6,;42.22,-13.16,;40.96,-6.22,;40.96,-4.7,;42.28,-7.02,;43.62,-6.26,;44.97,-7.04,;44.97,-8.6,;46.31,-6.28,;47.68,-6.98,;49,-6.22,;49,-4.71,;50.29,-7.06,;51.61,-6.28,;51.61,-4.76,;52.96,-7.05,;52.96,-8.61,;54.3,-6.29,;55.68,-6.98,;55.68,-8.54,;56.99,-9.3,;56.99,-10.85,;58.31,-11.61,;58.23,-13.21,;56.99,-6.22,;56.99,-4.7,;58.31,-7.03,;59.63,-6.25,;59.63,-4.74,;60.98,-3.96,;60.98,-2.44,;62.33,-1.68,;62.38,-.14,;61.02,.57,;63.66,.6,;60.98,-7.03,;60.98,-8.58,;62.32,-6.27,;63.68,-6.98,;63.68,-8.54,;65,-9.3,;66.39,-8.7,;67.42,-9.86,;66.64,-11.18,;65.14,-10.84,;65,-6.23,;65,-4.72,;66.33,-7.01,;67.66,-6.23,;67.66,-4.71,;69.01,-3.93,;69.01,-2.41,;70.36,-1.67,;70.36,-.13,;69.05,.59,;71.7,.62,;69.01,-7,;69.01,-8.55,;70.35,-6.24,;71.69,-7,;71.69,-8.56,;73,-9.32,;73,-10.88,;74.32,-11.64,;74.33,-13.2,;73,-6.25,;74.35,-7.03,;73,-4.73,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)141-62(20-7-12-29-108)91(166)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-129-92(167)64(142-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,159)(H,142,158)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 p300


(Homo sapiens (Human))
BDBM50255526
PNG
(Ac-SGRGKGGKGLGK(CoA)GGAKRHRK | CHEMBL500256)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[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)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,112.113,42.49,91.91,29.34,153.155,57.59,174.177,110.110,wD:107.106,109.118,4.4,71.70,144.146,164.166,12.17,185.188,(30.47,-5.9,;30.47,-4.35,;31.8,-3.59,;29.15,-3.58,;29.16,-2.02,;27.82,-1.25,;26.53,-2.1,;26.52,-3.65,;25.18,-1.31,;23.8,-1.99,;22.46,-1.23,;22.47,.3,;21.11,-2,;21.11,-3.55,;22.43,-4.32,;22.43,-5.88,;23.75,-6.65,;23.65,-8.11,;19.79,-1.22,;18.45,-1.99,;18.44,-3.52,;17.1,-1.2,;15.76,-1.96,;14.42,-1.19,;14.42,.36,;13.09,-1.96,;11.77,-1.17,;10.44,-1.96,;10.43,-3.49,;9.1,-1.18,;9.1,.38,;10.45,1.15,;10.45,2.68,;11.8,3.45,;11.79,5.03,;7.73,-1.89,;6.39,-1.14,;6.4,.41,;5.06,-1.9,;3.74,-1.11,;2.44,-1.94,;2.44,-3.47,;1.1,-1.15,;1.11,.39,;2.46,1.17,;2.46,2.7,;3.73,3.58,;3.83,5.12,;2.43,5.97,;5.12,5.95,;-.26,-1.86,;-1.61,-1.11,;-1.6,.45,;-2.93,-1.87,;-4.24,-1.05,;-5.49,-1.95,;-5.48,-3.48,;-6.84,-1.16,;-6.82,.38,;-5.47,1.18,;-8.19,-1.9,;-9.54,-1.16,;-10.86,-1.92,;-9.54,.39,;30.48,-1.26,;30.49,.27,;31.81,-2.03,;33.18,-1.33,;34.52,-2.12,;34.52,-3.66,;35.82,-1.29,;37.15,-2.07,;37.16,-3.62,;38.47,-4.39,;38.47,-5.94,;39.79,-6.71,;39.72,-8.25,;38.41,-9.07,;38.41,-10.6,;37.08,-8.3,;35.75,-9.07,;35.75,-10.61,;34.41,-11.38,;34.36,-12.92,;35.7,-13.68,;37.03,-12.92,;35.69,-15.24,;37.02,-16.01,;36.92,-17.54,;35.62,-18.37,;34.27,-17.58,;35.61,-19.89,;34.22,-20.64,;36.93,-20.66,;38.27,-21.44,;36.15,-22,;37.7,-19.34,;39.25,-19.35,;40.02,-18.02,;40.78,-16.68,;38.7,-17.25,;41.37,-18.8,;42.7,-18.04,;43.96,-17.24,;41.94,-16.71,;43.47,-19.39,;42.69,-20.73,;43.46,-22.05,;42.81,-23.47,;43.95,-24.5,;45.29,-23.74,;46.69,-24.39,;44.98,-22.24,;46.03,-21.1,;47.53,-21.43,;48.95,-21.74,;47.79,-19.9,;47.19,-22.94,;43.78,-26.04,;42.44,-26.79,;42.75,-28.31,;44.28,-28.48,;45.17,-29.73,;44.49,-31.11,;46.71,-29.58,;47.35,-28.18,;46.45,-26.92,;44.92,-27.07,;38.48,-1.3,;38.48,.23,;39.8,-2.1,;41.16,-1.37,;42.5,-2.15,;42.5,-3.7,;43.81,-1.34,;45.15,-2.1,;46.48,-1.34,;46.48,.19,;47.8,-2.13,;49.15,-1.38,;49.16,.15,;50.49,-2.17,;50.49,-3.72,;51.82,-1.38,;53.16,-2.14,;53.15,-3.69,;54.48,-4.47,;54.47,-6.02,;55.8,-6.78,;55.74,-8.34,;54.49,-1.38,;54.49,.16,;55.82,-2.15,;57.16,-1.41,;57.17,.12,;58.52,.89,;58.53,2.42,;59.85,3.21,;59.89,4.75,;58.53,5.53,;61.2,5.54,;58.5,-2.19,;58.5,-3.75,;59.83,-1.4,;61.16,-2.18,;61.15,-3.73,;62.46,-4.5,;63.84,-3.91,;64.88,-5.05,;64.11,-6.39,;62.61,-6.04,;62.47,-1.43,;62.48,.11,;63.81,-2.18,;65.15,-1.42,;65.16,.1,;66.5,.87,;66.51,2.4,;67.84,3.17,;67.87,4.71,;66.53,5.48,;69.21,5.49,;66.5,-2.21,;66.49,-3.76,;67.83,-1.44,;69.16,-2.22,;69.16,-3.77,;70.49,-4.54,;70.49,-6.1,;71.8,-6.87,;71.8,-8.42,;70.49,-1.46,;71.84,-2.24,;70.51,.07,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-128-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-64(23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150)92(167)129-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.35E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 p300


(Homo sapiens (Human))
BDBM50255527
PNG
(Ac-SGRGKGGKGLGKGGAK(CoA)RHRK | CHEMBL504265)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[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)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:134.135,88.88,132.132,42.49,29.34,153.155,113.113,57.59,174.177,wD:129.128,131.140,4.4,71.70,93.92,164.166,185.188,12.17,(30.67,-41.69,;30.67,-40.13,;32,-39.37,;29.35,-39.36,;29.36,-37.8,;28.03,-37.02,;26.75,-37.88,;26.74,-39.43,;25.41,-37.1,;24.02,-37.78,;22.68,-37.02,;22.69,-35.49,;21.33,-37.79,;21.32,-39.35,;22.65,-40.11,;22.64,-41.67,;23.97,-42.44,;23.87,-43.9,;20,-37.02,;18.66,-37.79,;18.66,-39.32,;17.32,-37,;15.97,-37.76,;14.64,-36.99,;14.63,-35.44,;13.31,-37.76,;11.98,-36.98,;10.65,-37.76,;10.64,-39.29,;9.31,-36.98,;9.31,-35.43,;10.66,-34.65,;10.66,-33.13,;12.01,-32.35,;12.01,-30.76,;7.94,-37.69,;6.59,-36.95,;6.59,-35.4,;5.26,-37.71,;3.95,-36.9,;2.66,-37.74,;2.66,-39.27,;1.32,-36.95,;1.32,-35.4,;2.67,-34.63,;2.67,-33.09,;3.94,-32.22,;4.02,-30.68,;2.63,-29.8,;5.31,-29.81,;-.07,-37.62,;-1.43,-36.91,;-1.43,-35.35,;-2.75,-37.67,;-4.05,-36.84,;-5.31,-37.74,;-5.31,-39.27,;-6.66,-36.95,;-6.64,-35.4,;-5.3,-34.63,;-8,-37.7,;-9.34,-36.95,;-10.66,-37.71,;-9.34,-35.39,;30.68,-37.05,;30.69,-35.52,;32.02,-37.81,;33.39,-37.13,;34.73,-37.91,;34.73,-39.46,;36.02,-37.07,;37.34,-37.87,;37.35,-39.42,;38.66,-40.19,;38.66,-41.74,;39.98,-42.51,;39.91,-44,;38.67,-37.1,;38.68,-35.57,;40.01,-37.86,;41.39,-37.16,;42.72,-37.94,;42.72,-39.5,;44.02,-37.11,;45.34,-37.9,;46.66,-37.14,;46.67,-35.61,;48.01,-37.89,;49.38,-37.18,;49.38,-35.65,;50.72,-37.96,;50.71,-39.51,;52.02,-37.14,;53.34,-37.93,;53.34,-39.48,;54.66,-40.25,;54.66,-41.8,;55.98,-42.57,;55.92,-44.11,;54.6,-44.91,;54.59,-46.45,;53.26,-44.13,;51.92,-44.9,;51.91,-46.43,;50.57,-47.2,;50.52,-48.74,;51.86,-49.52,;53.19,-48.75,;51.85,-51.07,;53.18,-51.84,;53.15,-53.38,;51.81,-54.15,;50.47,-53.37,;51.8,-55.68,;50.42,-56.44,;53.13,-56.45,;54.47,-57.22,;52.35,-57.79,;53.9,-55.13,;55.45,-55.13,;56.22,-53.81,;56.91,-52.5,;54.89,-53.04,;57.56,-54.59,;58.89,-53.83,;60.17,-53.04,;58.13,-52.49,;59.67,-55.17,;58.89,-56.51,;59.65,-57.84,;59,-59.26,;60.14,-60.28,;61.48,-59.53,;62.78,-60.2,;61.17,-58.02,;62.22,-56.89,;63.72,-57.22,;65.15,-57.57,;64,-55.71,;63.38,-58.73,;59.97,-61.82,;58.64,-62.58,;58.95,-64.09,;60.47,-64.26,;61.37,-65.51,;60.73,-66.91,;62.91,-65.37,;63.54,-63.97,;62.64,-62.71,;61.11,-62.86,;54.67,-37.17,;54.68,-35.63,;56.01,-37.93,;57.37,-37.2,;57.37,-35.67,;58.72,-34.9,;58.73,-33.37,;60.05,-32.57,;60.08,-31.03,;58.72,-30.23,;61.38,-30.24,;58.7,-37.98,;58.7,-39.54,;60.02,-37.18,;61.34,-37.97,;61.33,-39.52,;62.65,-40.29,;64.03,-39.7,;65.07,-40.84,;64.3,-42.17,;62.8,-41.83,;62.66,-37.21,;62.66,-35.68,;64,-37.97,;65.34,-37.21,;65.34,-35.69,;66.69,-34.92,;66.7,-33.39,;68.04,-32.63,;68.07,-31.09,;66.7,-30.33,;69.4,-30.32,;66.68,-38,;66.68,-39.55,;68.01,-37.23,;69.34,-38,;69.34,-39.56,;70.67,-40.32,;70.67,-41.88,;71.98,-42.65,;71.98,-44.2,;70.67,-37.24,;72.02,-38.02,;70.69,-35.71,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)64(22-9-14-31-110)140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.62E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 p300


(Homo sapiens (Human))
BDBM50255522
PNG
(Ac-ARTKQTARKSTGGK(CoA)APRKQL | CHEMBL526343)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.54E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 p300


(Homo sapiens (Human))
BDBM50255525
PNG
(Ac-SGRGKGGK(CoA)GLGKGGAKRHRK | CHEMBL448227)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=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](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,53.54,51.51,93.103,80.88,153.155,32.32,108.113,174.177,wD:48.47,50.59,4.4,122.124,144.146,164.166,185.188,12.71,(30.94,-27.66,;30.94,-26.11,;32.27,-25.35,;29.62,-25.34,;29.62,-23.78,;28.29,-23.01,;27,-23.86,;26.99,-25.41,;25.66,-23.07,;24.28,-23.77,;22.95,-22.99,;22.96,-21.46,;21.6,-23.77,;21.59,-25.32,;22.92,-26.09,;22.91,-27.64,;24.24,-28.41,;24.13,-29.95,;22.85,-30.79,;22.84,-32.34,;21.51,-30.01,;20.16,-30.78,;20.16,-32.32,;18.81,-33.09,;18.72,-34.63,;20.05,-35.4,;21.38,-34.64,;20.04,-36.96,;21.37,-37.73,;21.34,-39.27,;20,-40.04,;18.66,-39.26,;19.99,-41.57,;18.61,-42.33,;21.32,-42.33,;22.66,-43.11,;20.54,-43.68,;22.09,-41.02,;23.64,-41.02,;24.41,-39.69,;25.09,-38.34,;23.08,-38.93,;25.75,-40.48,;27.08,-39.72,;28.36,-38.93,;26.32,-38.38,;27.86,-41.06,;27.08,-42.4,;27.84,-43.73,;27.19,-45.15,;28.33,-46.17,;29.67,-45.42,;30.96,-46.03,;29.36,-43.91,;30.41,-42.78,;31.91,-43.11,;33.34,-43.43,;32.19,-41.6,;31.57,-44.61,;28.16,-47.71,;26.83,-48.47,;27.14,-49.98,;28.66,-50.15,;29.56,-51.4,;28.92,-52.8,;31.09,-51.26,;31.73,-49.85,;30.83,-48.59,;29.3,-48.75,;20.27,-22.99,;18.93,-23.76,;18.92,-25.29,;17.59,-22.98,;16.24,-23.73,;14.9,-22.97,;14.9,-21.41,;13.57,-23.73,;12.24,-22.95,;10.92,-23.73,;10.91,-25.27,;9.58,-22.96,;9.58,-21.4,;10.93,-20.63,;10.93,-19.1,;12.28,-18.33,;12.27,-16.74,;8.21,-23.66,;6.85,-22.92,;6.86,-21.37,;5.53,-23.68,;4.22,-22.87,;2.93,-23.71,;2.93,-25.24,;1.59,-22.92,;1.59,-21.38,;2.94,-20.6,;2.94,-19.07,;4.22,-18.2,;4.3,-16.67,;2.9,-15.81,;5.58,-15.81,;.21,-23.61,;-1.14,-22.88,;-1.14,-21.32,;-2.47,-23.64,;-3.77,-22.83,;-5.04,-23.71,;-5.03,-25.24,;-6.39,-22.92,;-6.37,-21.38,;-5.03,-20.6,;-7.73,-23.68,;-9.07,-22.92,;-10.39,-23.68,;-9.06,-21.37,;30.95,-23.02,;30.95,-21.49,;32.27,-23.8,;33.65,-23.1,;34.99,-23.89,;34.98,-25.44,;36.28,-23.06,;37.61,-23.84,;37.61,-25.39,;38.93,-26.16,;38.93,-27.71,;40.25,-28.48,;40.18,-29.99,;38.94,-23.08,;38.94,-21.55,;40.27,-23.85,;41.64,-23.14,;42.98,-23.92,;42.98,-25.47,;44.28,-23.1,;45.61,-23.87,;46.93,-23.11,;46.94,-21.58,;48.27,-23.88,;49.63,-23.16,;49.64,-21.62,;50.97,-23.94,;50.97,-25.49,;52.28,-23.13,;53.62,-23.9,;53.61,-25.46,;54.93,-26.23,;54.93,-27.78,;56.26,-28.55,;56.19,-30.08,;54.94,-23.14,;54.95,-21.61,;56.28,-23.91,;57.64,-23.18,;57.65,-21.65,;58.99,-20.88,;59,-19.34,;60.32,-18.55,;60.36,-17.01,;58.99,-16.21,;61.66,-16.21,;58.98,-23.96,;58.98,-25.51,;60.29,-23.16,;61.61,-23.94,;61.61,-25.49,;62.92,-26.27,;64.3,-25.68,;65.34,-26.82,;64.57,-28.15,;63.07,-27.8,;62.93,-23.19,;62.94,-21.66,;64.27,-23.95,;65.61,-23.19,;65.62,-21.67,;66.96,-20.9,;66.97,-19.36,;68.31,-18.61,;68.34,-17.07,;66.98,-16.31,;69.67,-16.29,;66.95,-23.97,;66.95,-25.52,;68.29,-23.2,;69.62,-23.98,;69.62,-25.53,;70.94,-26.3,;70.94,-27.86,;72.26,-28.63,;72.25,-30.18,;70.95,-23.22,;72.29,-24,;70.96,-21.69,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)64(140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 8.15E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 KAT5


(Homo sapiens (Human))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/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/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
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Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of TIP60 in human HeLa cell extracts by ELISA


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 KAT5


(Homo sapiens (Human))
BDBM50255527
PNG
(Ac-SGRGKGGKGLGKGGAK(CoA)RHRK | CHEMBL504265)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[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)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:134.135,88.88,132.132,42.49,29.34,153.155,113.113,57.59,174.177,wD:129.128,131.140,4.4,71.70,93.92,164.166,185.188,12.17,(30.67,-41.69,;30.67,-40.13,;32,-39.37,;29.35,-39.36,;29.36,-37.8,;28.03,-37.02,;26.75,-37.88,;26.74,-39.43,;25.41,-37.1,;24.02,-37.78,;22.68,-37.02,;22.69,-35.49,;21.33,-37.79,;21.32,-39.35,;22.65,-40.11,;22.64,-41.67,;23.97,-42.44,;23.87,-43.9,;20,-37.02,;18.66,-37.79,;18.66,-39.32,;17.32,-37,;15.97,-37.76,;14.64,-36.99,;14.63,-35.44,;13.31,-37.76,;11.98,-36.98,;10.65,-37.76,;10.64,-39.29,;9.31,-36.98,;9.31,-35.43,;10.66,-34.65,;10.66,-33.13,;12.01,-32.35,;12.01,-30.76,;7.94,-37.69,;6.59,-36.95,;6.59,-35.4,;5.26,-37.71,;3.95,-36.9,;2.66,-37.74,;2.66,-39.27,;1.32,-36.95,;1.32,-35.4,;2.67,-34.63,;2.67,-33.09,;3.94,-32.22,;4.02,-30.68,;2.63,-29.8,;5.31,-29.81,;-.07,-37.62,;-1.43,-36.91,;-1.43,-35.35,;-2.75,-37.67,;-4.05,-36.84,;-5.31,-37.74,;-5.31,-39.27,;-6.66,-36.95,;-6.64,-35.4,;-5.3,-34.63,;-8,-37.7,;-9.34,-36.95,;-10.66,-37.71,;-9.34,-35.39,;30.68,-37.05,;30.69,-35.52,;32.02,-37.81,;33.39,-37.13,;34.73,-37.91,;34.73,-39.46,;36.02,-37.07,;37.34,-37.87,;37.35,-39.42,;38.66,-40.19,;38.66,-41.74,;39.98,-42.51,;39.91,-44,;38.67,-37.1,;38.68,-35.57,;40.01,-37.86,;41.39,-37.16,;42.72,-37.94,;42.72,-39.5,;44.02,-37.11,;45.34,-37.9,;46.66,-37.14,;46.67,-35.61,;48.01,-37.89,;49.38,-37.18,;49.38,-35.65,;50.72,-37.96,;50.71,-39.51,;52.02,-37.14,;53.34,-37.93,;53.34,-39.48,;54.66,-40.25,;54.66,-41.8,;55.98,-42.57,;55.92,-44.11,;54.6,-44.91,;54.59,-46.45,;53.26,-44.13,;51.92,-44.9,;51.91,-46.43,;50.57,-47.2,;50.52,-48.74,;51.86,-49.52,;53.19,-48.75,;51.85,-51.07,;53.18,-51.84,;53.15,-53.38,;51.81,-54.15,;50.47,-53.37,;51.8,-55.68,;50.42,-56.44,;53.13,-56.45,;54.47,-57.22,;52.35,-57.79,;53.9,-55.13,;55.45,-55.13,;56.22,-53.81,;56.91,-52.5,;54.89,-53.04,;57.56,-54.59,;58.89,-53.83,;60.17,-53.04,;58.13,-52.49,;59.67,-55.17,;58.89,-56.51,;59.65,-57.84,;59,-59.26,;60.14,-60.28,;61.48,-59.53,;62.78,-60.2,;61.17,-58.02,;62.22,-56.89,;63.72,-57.22,;65.15,-57.57,;64,-55.71,;63.38,-58.73,;59.97,-61.82,;58.64,-62.58,;58.95,-64.09,;60.47,-64.26,;61.37,-65.51,;60.73,-66.91,;62.91,-65.37,;63.54,-63.97,;62.64,-62.71,;61.11,-62.86,;54.67,-37.17,;54.68,-35.63,;56.01,-37.93,;57.37,-37.2,;57.37,-35.67,;58.72,-34.9,;58.73,-33.37,;60.05,-32.57,;60.08,-31.03,;58.72,-30.23,;61.38,-30.24,;58.7,-37.98,;58.7,-39.54,;60.02,-37.18,;61.34,-37.97,;61.33,-39.52,;62.65,-40.29,;64.03,-39.7,;65.07,-40.84,;64.3,-42.17,;62.8,-41.83,;62.66,-37.21,;62.66,-35.68,;64,-37.97,;65.34,-37.21,;65.34,-35.69,;66.69,-34.92,;66.7,-33.39,;68.04,-32.63,;68.07,-31.09,;66.7,-30.33,;69.4,-30.32,;66.68,-38,;66.68,-39.55,;68.01,-37.23,;69.34,-38,;69.34,-39.56,;70.67,-40.32,;70.67,-41.88,;71.98,-42.65,;71.98,-44.2,;70.67,-37.24,;72.02,-38.02,;70.69,-35.71,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)64(22-9-14-31-110)140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PubMed
n/an/a 1.73E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 p300


(Homo sapiens (Human))
BDBM50255528
PNG
(Ac-SGRGK(CoA)QGGKARAKAKTRSSRA | CHEMBL509144)
Show SMILES [#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C111H198N45O45P3S/c1-55(90(173)149-66(26-18-37-129-108(119)120)96(179)141-56(2)88(171)147-64(22-10-14-33-113)95(178)140-57(3)89(172)148-65(23-11-15-34-114)100(183)155-81(59(5)160)103(186)152-68(28-20-39-131-110(123)124)99(182)153-72(49-159)102(185)154-71(48-158)101(184)150-67(27-19-38-130-109(121)122)97(180)142-58(4)106(188)189)139-94(177)62(21-9-13-32-112)145-77(165)44-132-76(164)43-133-92(175)69(29-30-74(115)162)151-98(181)63(146-79(167)45-134-91(174)61(25-17-36-128-107(117)118)144-78(166)46-135-93(176)70(47-157)143-60(6)161)24-12-16-35-125-80(168)51-205-42-41-126-75(163)31-40-127-104(187)85(170)111(7,8)52-198-204(195,196)201-203(193,194)197-50-73-84(200-202(190,191)192)83(169)105(199-73)156-54-138-82-86(116)136-53-137-87(82)156/h53-59,61-73,81,83-85,105,157-160,169-170H,9-52,112-114H2,1-8H3,(H2,115,162)(H,125,168)(H,126,163)(H,127,187)(H,132,164)(H,133,175)(H,134,174)(H,135,176)(H,139,177)(H,140,178)(H,141,179)(H,142,180)(H,143,161)(H,144,166)(H,145,165)(H,146,167)(H,147,171)(H,148,172)(H,149,173)(H,150,184)(H,151,181)(H,152,186)(H,153,182)(H,154,185)(H,155,183)(H,188,189)(H,193,194)(H,195,196)(H2,116,136,137)(H4,117,118,128)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)(H2,190,191,192)/t55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,81-,83+,84+,85-,105+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.74E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 KAT5


(Homo sapiens (Human))
BDBM50255528
PNG
(Ac-SGRGK(CoA)QGGKARAKAKTRSSRA | CHEMBL509144)
Show SMILES [#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C111H198N45O45P3S/c1-55(90(173)149-66(26-18-37-129-108(119)120)96(179)141-56(2)88(171)147-64(22-10-14-33-113)95(178)140-57(3)89(172)148-65(23-11-15-34-114)100(183)155-81(59(5)160)103(186)152-68(28-20-39-131-110(123)124)99(182)153-72(49-159)102(185)154-71(48-158)101(184)150-67(27-19-38-130-109(121)122)97(180)142-58(4)106(188)189)139-94(177)62(21-9-13-32-112)145-77(165)44-132-76(164)43-133-92(175)69(29-30-74(115)162)151-98(181)63(146-79(167)45-134-91(174)61(25-17-36-128-107(117)118)144-78(166)46-135-93(176)70(47-157)143-60(6)161)24-12-16-35-125-80(168)51-205-42-41-126-75(163)31-40-127-104(187)85(170)111(7,8)52-198-204(195,196)201-203(193,194)197-50-73-84(200-202(190,191)192)83(169)105(199-73)156-54-138-82-86(116)136-53-137-87(82)156/h53-59,61-73,81,83-85,105,157-160,169-170H,9-52,112-114H2,1-8H3,(H2,115,162)(H,125,168)(H,126,163)(H,127,187)(H,132,164)(H,133,175)(H,134,174)(H,135,176)(H,139,177)(H,140,178)(H,141,179)(H,142,180)(H,143,161)(H,144,166)(H,145,165)(H,146,167)(H,147,171)(H,148,172)(H,149,173)(H,150,184)(H,151,181)(H,152,186)(H,153,182)(H,154,185)(H,155,183)(H,188,189)(H,193,194)(H,195,196)(H2,116,136,137)(H4,117,118,128)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)(H2,190,191,192)/t55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,81-,83+,84+,85-,105+/m0/s1
PDB
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PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT5


(Homo sapiens (Human))
BDBM50255526
PNG
(Ac-SGRGKGGKGLGK(CoA)GGAKRHRK | CHEMBL500256)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[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)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,112.113,42.49,91.91,29.34,153.155,57.59,174.177,110.110,wD:107.106,109.118,4.4,71.70,144.146,164.166,12.17,185.188,(30.47,-5.9,;30.47,-4.35,;31.8,-3.59,;29.15,-3.58,;29.16,-2.02,;27.82,-1.25,;26.53,-2.1,;26.52,-3.65,;25.18,-1.31,;23.8,-1.99,;22.46,-1.23,;22.47,.3,;21.11,-2,;21.11,-3.55,;22.43,-4.32,;22.43,-5.88,;23.75,-6.65,;23.65,-8.11,;19.79,-1.22,;18.45,-1.99,;18.44,-3.52,;17.1,-1.2,;15.76,-1.96,;14.42,-1.19,;14.42,.36,;13.09,-1.96,;11.77,-1.17,;10.44,-1.96,;10.43,-3.49,;9.1,-1.18,;9.1,.38,;10.45,1.15,;10.45,2.68,;11.8,3.45,;11.79,5.03,;7.73,-1.89,;6.39,-1.14,;6.4,.41,;5.06,-1.9,;3.74,-1.11,;2.44,-1.94,;2.44,-3.47,;1.1,-1.15,;1.11,.39,;2.46,1.17,;2.46,2.7,;3.73,3.58,;3.83,5.12,;2.43,5.97,;5.12,5.95,;-.26,-1.86,;-1.61,-1.11,;-1.6,.45,;-2.93,-1.87,;-4.24,-1.05,;-5.49,-1.95,;-5.48,-3.48,;-6.84,-1.16,;-6.82,.38,;-5.47,1.18,;-8.19,-1.9,;-9.54,-1.16,;-10.86,-1.92,;-9.54,.39,;30.48,-1.26,;30.49,.27,;31.81,-2.03,;33.18,-1.33,;34.52,-2.12,;34.52,-3.66,;35.82,-1.29,;37.15,-2.07,;37.16,-3.62,;38.47,-4.39,;38.47,-5.94,;39.79,-6.71,;39.72,-8.25,;38.41,-9.07,;38.41,-10.6,;37.08,-8.3,;35.75,-9.07,;35.75,-10.61,;34.41,-11.38,;34.36,-12.92,;35.7,-13.68,;37.03,-12.92,;35.69,-15.24,;37.02,-16.01,;36.92,-17.54,;35.62,-18.37,;34.27,-17.58,;35.61,-19.89,;34.22,-20.64,;36.93,-20.66,;38.27,-21.44,;36.15,-22,;37.7,-19.34,;39.25,-19.35,;40.02,-18.02,;40.78,-16.68,;38.7,-17.25,;41.37,-18.8,;42.7,-18.04,;43.96,-17.24,;41.94,-16.71,;43.47,-19.39,;42.69,-20.73,;43.46,-22.05,;42.81,-23.47,;43.95,-24.5,;45.29,-23.74,;46.69,-24.39,;44.98,-22.24,;46.03,-21.1,;47.53,-21.43,;48.95,-21.74,;47.79,-19.9,;47.19,-22.94,;43.78,-26.04,;42.44,-26.79,;42.75,-28.31,;44.28,-28.48,;45.17,-29.73,;44.49,-31.11,;46.71,-29.58,;47.35,-28.18,;46.45,-26.92,;44.92,-27.07,;38.48,-1.3,;38.48,.23,;39.8,-2.1,;41.16,-1.37,;42.5,-2.15,;42.5,-3.7,;43.81,-1.34,;45.15,-2.1,;46.48,-1.34,;46.48,.19,;47.8,-2.13,;49.15,-1.38,;49.16,.15,;50.49,-2.17,;50.49,-3.72,;51.82,-1.38,;53.16,-2.14,;53.15,-3.69,;54.48,-4.47,;54.47,-6.02,;55.8,-6.78,;55.74,-8.34,;54.49,-1.38,;54.49,.16,;55.82,-2.15,;57.16,-1.41,;57.17,.12,;58.52,.89,;58.53,2.42,;59.85,3.21,;59.89,4.75,;58.53,5.53,;61.2,5.54,;58.5,-2.19,;58.5,-3.75,;59.83,-1.4,;61.16,-2.18,;61.15,-3.73,;62.46,-4.5,;63.84,-3.91,;64.88,-5.05,;64.11,-6.39,;62.61,-6.04,;62.47,-1.43,;62.48,.11,;63.81,-2.18,;65.15,-1.42,;65.16,.1,;66.5,.87,;66.51,2.4,;67.84,3.17,;67.87,4.71,;66.53,5.48,;69.21,5.49,;66.5,-2.21,;66.49,-3.76,;67.83,-1.44,;69.16,-2.22,;69.16,-3.77,;70.49,-4.54,;70.49,-6.1,;71.8,-6.87,;71.8,-8.42,;70.49,-1.46,;71.84,-2.24,;70.51,.07,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-128-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-64(23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150)92(167)129-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
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PubMed
n/an/a 2.59E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT5


(Homo sapiens (Human))
BDBM50255529
PNG
(Ac-Lys(CoA)-NH2 | CHEMBL505121)
Show SMILES CC(=O)N[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)C(N)=O |r|
Show InChI InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1
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PubMed
n/an/a 2.98E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 p300


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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 KAT2B


(Homo sapiens (Human))
BDBM50367033
PNG
(COENZYME_A)
Show SMILES CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS |r|
Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
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n/an/a 4.19E+4n/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
3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50367033
PNG
(COENZYME_A)
Show SMILES CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS |r|
Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
PDB
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n/an/a 4.59E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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
3D
3D Structure (crystal)
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50255526
PNG
(Ac-SGRGKGGKGLGK(CoA)GGAKRHRK | CHEMBL500256)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[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)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,112.113,42.49,91.91,29.34,153.155,57.59,174.177,110.110,wD:107.106,109.118,4.4,71.70,144.146,164.166,12.17,185.188,(30.47,-5.9,;30.47,-4.35,;31.8,-3.59,;29.15,-3.58,;29.16,-2.02,;27.82,-1.25,;26.53,-2.1,;26.52,-3.65,;25.18,-1.31,;23.8,-1.99,;22.46,-1.23,;22.47,.3,;21.11,-2,;21.11,-3.55,;22.43,-4.32,;22.43,-5.88,;23.75,-6.65,;23.65,-8.11,;19.79,-1.22,;18.45,-1.99,;18.44,-3.52,;17.1,-1.2,;15.76,-1.96,;14.42,-1.19,;14.42,.36,;13.09,-1.96,;11.77,-1.17,;10.44,-1.96,;10.43,-3.49,;9.1,-1.18,;9.1,.38,;10.45,1.15,;10.45,2.68,;11.8,3.45,;11.79,5.03,;7.73,-1.89,;6.39,-1.14,;6.4,.41,;5.06,-1.9,;3.74,-1.11,;2.44,-1.94,;2.44,-3.47,;1.1,-1.15,;1.11,.39,;2.46,1.17,;2.46,2.7,;3.73,3.58,;3.83,5.12,;2.43,5.97,;5.12,5.95,;-.26,-1.86,;-1.61,-1.11,;-1.6,.45,;-2.93,-1.87,;-4.24,-1.05,;-5.49,-1.95,;-5.48,-3.48,;-6.84,-1.16,;-6.82,.38,;-5.47,1.18,;-8.19,-1.9,;-9.54,-1.16,;-10.86,-1.92,;-9.54,.39,;30.48,-1.26,;30.49,.27,;31.81,-2.03,;33.18,-1.33,;34.52,-2.12,;34.52,-3.66,;35.82,-1.29,;37.15,-2.07,;37.16,-3.62,;38.47,-4.39,;38.47,-5.94,;39.79,-6.71,;39.72,-8.25,;38.41,-9.07,;38.41,-10.6,;37.08,-8.3,;35.75,-9.07,;35.75,-10.61,;34.41,-11.38,;34.36,-12.92,;35.7,-13.68,;37.03,-12.92,;35.69,-15.24,;37.02,-16.01,;36.92,-17.54,;35.62,-18.37,;34.27,-17.58,;35.61,-19.89,;34.22,-20.64,;36.93,-20.66,;38.27,-21.44,;36.15,-22,;37.7,-19.34,;39.25,-19.35,;40.02,-18.02,;40.78,-16.68,;38.7,-17.25,;41.37,-18.8,;42.7,-18.04,;43.96,-17.24,;41.94,-16.71,;43.47,-19.39,;42.69,-20.73,;43.46,-22.05,;42.81,-23.47,;43.95,-24.5,;45.29,-23.74,;46.69,-24.39,;44.98,-22.24,;46.03,-21.1,;47.53,-21.43,;48.95,-21.74,;47.79,-19.9,;47.19,-22.94,;43.78,-26.04,;42.44,-26.79,;42.75,-28.31,;44.28,-28.48,;45.17,-29.73,;44.49,-31.11,;46.71,-29.58,;47.35,-28.18,;46.45,-26.92,;44.92,-27.07,;38.48,-1.3,;38.48,.23,;39.8,-2.1,;41.16,-1.37,;42.5,-2.15,;42.5,-3.7,;43.81,-1.34,;45.15,-2.1,;46.48,-1.34,;46.48,.19,;47.8,-2.13,;49.15,-1.38,;49.16,.15,;50.49,-2.17,;50.49,-3.72,;51.82,-1.38,;53.16,-2.14,;53.15,-3.69,;54.48,-4.47,;54.47,-6.02,;55.8,-6.78,;55.74,-8.34,;54.49,-1.38,;54.49,.16,;55.82,-2.15,;57.16,-1.41,;57.17,.12,;58.52,.89,;58.53,2.42,;59.85,3.21,;59.89,4.75,;58.53,5.53,;61.2,5.54,;58.5,-2.19,;58.5,-3.75,;59.83,-1.4,;61.16,-2.18,;61.15,-3.73,;62.46,-4.5,;63.84,-3.91,;64.88,-5.05,;64.11,-6.39,;62.61,-6.04,;62.47,-1.43,;62.48,.11,;63.81,-2.18,;65.15,-1.42,;65.16,.1,;66.5,.87,;66.51,2.4,;67.84,3.17,;67.87,4.71,;66.53,5.48,;69.21,5.49,;66.5,-2.21,;66.49,-3.76,;67.83,-1.44,;69.16,-2.22,;69.16,-3.77,;70.49,-4.54,;70.49,-6.1,;71.8,-6.87,;71.8,-8.42,;70.49,-1.46,;71.84,-2.24,;70.51,.07,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-128-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-64(23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150)92(167)129-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
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n/an/a 5.36E+4n/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 KAT2B


(Homo sapiens (Human))
BDBM50255527
PNG
(Ac-SGRGKGGKGLGKGGAK(CoA)RHRK | CHEMBL504265)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[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)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:134.135,88.88,132.132,42.49,29.34,153.155,113.113,57.59,174.177,wD:129.128,131.140,4.4,71.70,93.92,164.166,185.188,12.17,(30.67,-41.69,;30.67,-40.13,;32,-39.37,;29.35,-39.36,;29.36,-37.8,;28.03,-37.02,;26.75,-37.88,;26.74,-39.43,;25.41,-37.1,;24.02,-37.78,;22.68,-37.02,;22.69,-35.49,;21.33,-37.79,;21.32,-39.35,;22.65,-40.11,;22.64,-41.67,;23.97,-42.44,;23.87,-43.9,;20,-37.02,;18.66,-37.79,;18.66,-39.32,;17.32,-37,;15.97,-37.76,;14.64,-36.99,;14.63,-35.44,;13.31,-37.76,;11.98,-36.98,;10.65,-37.76,;10.64,-39.29,;9.31,-36.98,;9.31,-35.43,;10.66,-34.65,;10.66,-33.13,;12.01,-32.35,;12.01,-30.76,;7.94,-37.69,;6.59,-36.95,;6.59,-35.4,;5.26,-37.71,;3.95,-36.9,;2.66,-37.74,;2.66,-39.27,;1.32,-36.95,;1.32,-35.4,;2.67,-34.63,;2.67,-33.09,;3.94,-32.22,;4.02,-30.68,;2.63,-29.8,;5.31,-29.81,;-.07,-37.62,;-1.43,-36.91,;-1.43,-35.35,;-2.75,-37.67,;-4.05,-36.84,;-5.31,-37.74,;-5.31,-39.27,;-6.66,-36.95,;-6.64,-35.4,;-5.3,-34.63,;-8,-37.7,;-9.34,-36.95,;-10.66,-37.71,;-9.34,-35.39,;30.68,-37.05,;30.69,-35.52,;32.02,-37.81,;33.39,-37.13,;34.73,-37.91,;34.73,-39.46,;36.02,-37.07,;37.34,-37.87,;37.35,-39.42,;38.66,-40.19,;38.66,-41.74,;39.98,-42.51,;39.91,-44,;38.67,-37.1,;38.68,-35.57,;40.01,-37.86,;41.39,-37.16,;42.72,-37.94,;42.72,-39.5,;44.02,-37.11,;45.34,-37.9,;46.66,-37.14,;46.67,-35.61,;48.01,-37.89,;49.38,-37.18,;49.38,-35.65,;50.72,-37.96,;50.71,-39.51,;52.02,-37.14,;53.34,-37.93,;53.34,-39.48,;54.66,-40.25,;54.66,-41.8,;55.98,-42.57,;55.92,-44.11,;54.6,-44.91,;54.59,-46.45,;53.26,-44.13,;51.92,-44.9,;51.91,-46.43,;50.57,-47.2,;50.52,-48.74,;51.86,-49.52,;53.19,-48.75,;51.85,-51.07,;53.18,-51.84,;53.15,-53.38,;51.81,-54.15,;50.47,-53.37,;51.8,-55.68,;50.42,-56.44,;53.13,-56.45,;54.47,-57.22,;52.35,-57.79,;53.9,-55.13,;55.45,-55.13,;56.22,-53.81,;56.91,-52.5,;54.89,-53.04,;57.56,-54.59,;58.89,-53.83,;60.17,-53.04,;58.13,-52.49,;59.67,-55.17,;58.89,-56.51,;59.65,-57.84,;59,-59.26,;60.14,-60.28,;61.48,-59.53,;62.78,-60.2,;61.17,-58.02,;62.22,-56.89,;63.72,-57.22,;65.15,-57.57,;64,-55.71,;63.38,-58.73,;59.97,-61.82,;58.64,-62.58,;58.95,-64.09,;60.47,-64.26,;61.37,-65.51,;60.73,-66.91,;62.91,-65.37,;63.54,-63.97,;62.64,-62.71,;61.11,-62.86,;54.67,-37.17,;54.68,-35.63,;56.01,-37.93,;57.37,-37.2,;57.37,-35.67,;58.72,-34.9,;58.73,-33.37,;60.05,-32.57,;60.08,-31.03,;58.72,-30.23,;61.38,-30.24,;58.7,-37.98,;58.7,-39.54,;60.02,-37.18,;61.34,-37.97,;61.33,-39.52,;62.65,-40.29,;64.03,-39.7,;65.07,-40.84,;64.3,-42.17,;62.8,-41.83,;62.66,-37.21,;62.66,-35.68,;64,-37.97,;65.34,-37.21,;65.34,-35.69,;66.69,-34.92,;66.7,-33.39,;68.04,-32.63,;68.07,-31.09,;66.7,-30.33,;69.4,-30.32,;66.68,-38,;66.68,-39.55,;68.01,-37.23,;69.34,-38,;69.34,-39.56,;70.67,-40.32,;70.67,-41.88,;71.98,-42.65,;71.98,-44.2,;70.67,-37.24,;72.02,-38.02,;70.69,-35.71,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)64(22-9-14-31-110)140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

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n/an/a 5.85E+4n/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 KAT2B


(Homo sapiens (Human))
BDBM50255528
PNG
(Ac-SGRGK(CoA)QGGKARAKAKTRSSRA | CHEMBL509144)
Show SMILES [#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C111H198N45O45P3S/c1-55(90(173)149-66(26-18-37-129-108(119)120)96(179)141-56(2)88(171)147-64(22-10-14-33-113)95(178)140-57(3)89(172)148-65(23-11-15-34-114)100(183)155-81(59(5)160)103(186)152-68(28-20-39-131-110(123)124)99(182)153-72(49-159)102(185)154-71(48-158)101(184)150-67(27-19-38-130-109(121)122)97(180)142-58(4)106(188)189)139-94(177)62(21-9-13-32-112)145-77(165)44-132-76(164)43-133-92(175)69(29-30-74(115)162)151-98(181)63(146-79(167)45-134-91(174)61(25-17-36-128-107(117)118)144-78(166)46-135-93(176)70(47-157)143-60(6)161)24-12-16-35-125-80(168)51-205-42-41-126-75(163)31-40-127-104(187)85(170)111(7,8)52-198-204(195,196)201-203(193,194)197-50-73-84(200-202(190,191)192)83(169)105(199-73)156-54-138-82-86(116)136-53-137-87(82)156/h53-59,61-73,81,83-85,105,157-160,169-170H,9-52,112-114H2,1-8H3,(H2,115,162)(H,125,168)(H,126,163)(H,127,187)(H,132,164)(H,133,175)(H,134,174)(H,135,176)(H,139,177)(H,140,178)(H,141,179)(H,142,180)(H,143,161)(H,144,166)(H,145,165)(H,146,167)(H,147,171)(H,148,172)(H,149,173)(H,150,184)(H,151,181)(H,152,186)(H,153,182)(H,154,185)(H,155,183)(H,188,189)(H,193,194)(H,195,196)(H2,116,136,137)(H4,117,118,128)(H4,119,120,129)(H4,121,122,130)(H4,123,124,131)(H2,190,191,192)/t55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,81-,83+,84+,85-,105+/m0/s1
PDB
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n/an/a 6.05E+4n/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 KAT2B


(Homo sapiens (Human))
BDBM50255524
PNG
(Ac-SGRGK(CoA)GGKGLGKGGAKRHRK | CHEMBL505605)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=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)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,65.64,67.76,29.88,108.113,153.155,93.103,174.177,wD:68.68,70.71,49.49,144.146,12.17,164.166,4.4,185.188,122.124,(32.95,-10.85,;32.95,-9.29,;34.26,-8.53,;31.63,-8.53,;31.63,-6.98,;30.31,-6.18,;28.99,-6.97,;28.99,-8.52,;27.64,-6.19,;26.3,-6.95,;24.94,-6.21,;24.94,-4.69,;23.63,-6.97,;23.63,-8.52,;24.94,-9.28,;24.94,-10.84,;26.26,-11.59,;26.25,-13.1,;22.32,-6.16,;21.02,-6.99,;21.02,-8.55,;19.66,-6.21,;18.3,-6.93,;16.95,-6.2,;16.95,-4.67,;15.63,-6.95,;14.32,-6.15,;13.03,-6.99,;13.03,-8.54,;11.68,-6.2,;11.68,-4.69,;13.03,-3.91,;13.03,-2.39,;14.37,-1.62,;14.37,-.08,;15.75,.61,;17.08,-.16,;15.75,2.15,;17.08,2.92,;18.42,3.69,;18.42,5.23,;19.76,6.01,;21.09,5.23,;21.09,3.69,;22.42,6.01,;23.77,5.23,;25.1,6.01,;25.1,7.55,;23.77,8.33,;26.43,8.33,;26.43,9.86,;27.77,7.55,;29.11,6.77,;28.54,8.89,;27,6.21,;27.77,4.88,;27,3.53,;26.23,2.2,;25.66,4.31,;28.33,2.77,;28.33,1.22,;28.33,-.32,;26.79,1.22,;29.88,1.22,;30.64,2.56,;32.19,2.56,;33.1,3.81,;34.56,3.33,;34.56,1.79,;35.81,.88,;33.1,1.32,;32.62,-.15,;33.65,-1.29,;34.68,-2.44,;32.5,-2.33,;34.8,-.26,;35.81,4.24,;35.81,5.78,;37.28,6.26,;38.18,5.01,;39.71,4.85,;40.62,6.1,;40.34,3.44,;39.44,2.19,;37.9,2.36,;37.28,3.76,;10.29,-6.87,;8.9,-6.2,;8.9,-4.68,;7.58,-6.96,;6.26,-6.17,;4.94,-6.96,;4.94,-8.51,;3.59,-6.18,;3.59,-4.66,;4.94,-3.88,;4.94,-2.37,;6.27,-1.6,;6.25,-.06,;4.94,.8,;7.61,.79,;2.23,-6.9,;.86,-6.19,;.86,-4.67,;-.47,-6.95,;-1.76,-6.12,;-3.06,-6.95,;-3.06,-8.48,;-4.39,-6.18,;-4.39,-4.63,;-3.02,-3.68,;-5.77,-6.86,;-7.14,-6.17,;-8.48,-6.94,;-7.14,-4.63,;32.95,-6.22,;32.95,-4.7,;34.29,-6.96,;35.63,-6.2,;36.98,-6.97,;36.98,-8.53,;38.31,-6.2,;39.64,-6.98,;39.64,-8.53,;40.96,-9.29,;40.96,-10.85,;42.28,-11.6,;42.22,-13.16,;40.96,-6.22,;40.96,-4.7,;42.28,-7.02,;43.62,-6.26,;44.97,-7.04,;44.97,-8.6,;46.31,-6.28,;47.68,-6.98,;49,-6.22,;49,-4.71,;50.29,-7.06,;51.61,-6.28,;51.61,-4.76,;52.96,-7.05,;52.96,-8.61,;54.3,-6.29,;55.68,-6.98,;55.68,-8.54,;56.99,-9.3,;56.99,-10.85,;58.31,-11.61,;58.23,-13.21,;56.99,-6.22,;56.99,-4.7,;58.31,-7.03,;59.63,-6.25,;59.63,-4.74,;60.98,-3.96,;60.98,-2.44,;62.33,-1.68,;62.38,-.14,;61.02,.57,;63.66,.6,;60.98,-7.03,;60.98,-8.58,;62.32,-6.27,;63.68,-6.98,;63.68,-8.54,;65,-9.3,;66.39,-8.7,;67.42,-9.86,;66.64,-11.18,;65.14,-10.84,;65,-6.23,;65,-4.72,;66.33,-7.01,;67.66,-6.23,;67.66,-4.71,;69.01,-3.93,;69.01,-2.41,;70.36,-1.67,;70.36,-.13,;69.05,.59,;71.7,.62,;69.01,-7,;69.01,-8.55,;70.35,-6.24,;71.69,-7,;71.69,-8.56,;73,-9.32,;73,-10.88,;74.32,-11.64,;74.33,-13.2,;73,-6.25,;74.35,-7.03,;73,-4.73,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)141-62(20-7-12-29-108)91(166)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-129-92(167)64(142-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,159)(H,142,158)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
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n/an/a 6.59E+4n/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 KAT5


(Homo sapiens (Human))
BDBM50255522
PNG
(Ac-ARTKQTARKSTGGK(CoA)APRKQL | CHEMBL526343)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
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 7.96E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT5


(Homo sapiens (Human))
BDBM50367033
PNG
(COENZYME_A)
Show SMILES CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS |r|
Show InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
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n/an/a 8.23E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT2B


(Homo sapiens (Human))
BDBM50255529
PNG
(Ac-Lys(CoA)-NH2 | CHEMBL505121)
Show SMILES CC(=O)N[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)C(N)=O |r|
Show InChI InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1
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n/an/a 1.08E+5n/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 KAT5


(Homo sapiens (Human))
BDBM50255525
PNG
(Ac-SGRGKGGK(CoA)GLGKGGAKRHRK | CHEMBL448227)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=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](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,53.54,51.51,93.103,80.88,153.155,32.32,108.113,174.177,wD:48.47,50.59,4.4,122.124,144.146,164.166,185.188,12.71,(30.94,-27.66,;30.94,-26.11,;32.27,-25.35,;29.62,-25.34,;29.62,-23.78,;28.29,-23.01,;27,-23.86,;26.99,-25.41,;25.66,-23.07,;24.28,-23.77,;22.95,-22.99,;22.96,-21.46,;21.6,-23.77,;21.59,-25.32,;22.92,-26.09,;22.91,-27.64,;24.24,-28.41,;24.13,-29.95,;22.85,-30.79,;22.84,-32.34,;21.51,-30.01,;20.16,-30.78,;20.16,-32.32,;18.81,-33.09,;18.72,-34.63,;20.05,-35.4,;21.38,-34.64,;20.04,-36.96,;21.37,-37.73,;21.34,-39.27,;20,-40.04,;18.66,-39.26,;19.99,-41.57,;18.61,-42.33,;21.32,-42.33,;22.66,-43.11,;20.54,-43.68,;22.09,-41.02,;23.64,-41.02,;24.41,-39.69,;25.09,-38.34,;23.08,-38.93,;25.75,-40.48,;27.08,-39.72,;28.36,-38.93,;26.32,-38.38,;27.86,-41.06,;27.08,-42.4,;27.84,-43.73,;27.19,-45.15,;28.33,-46.17,;29.67,-45.42,;30.96,-46.03,;29.36,-43.91,;30.41,-42.78,;31.91,-43.11,;33.34,-43.43,;32.19,-41.6,;31.57,-44.61,;28.16,-47.71,;26.83,-48.47,;27.14,-49.98,;28.66,-50.15,;29.56,-51.4,;28.92,-52.8,;31.09,-51.26,;31.73,-49.85,;30.83,-48.59,;29.3,-48.75,;20.27,-22.99,;18.93,-23.76,;18.92,-25.29,;17.59,-22.98,;16.24,-23.73,;14.9,-22.97,;14.9,-21.41,;13.57,-23.73,;12.24,-22.95,;10.92,-23.73,;10.91,-25.27,;9.58,-22.96,;9.58,-21.4,;10.93,-20.63,;10.93,-19.1,;12.28,-18.33,;12.27,-16.74,;8.21,-23.66,;6.85,-22.92,;6.86,-21.37,;5.53,-23.68,;4.22,-22.87,;2.93,-23.71,;2.93,-25.24,;1.59,-22.92,;1.59,-21.38,;2.94,-20.6,;2.94,-19.07,;4.22,-18.2,;4.3,-16.67,;2.9,-15.81,;5.58,-15.81,;.21,-23.61,;-1.14,-22.88,;-1.14,-21.32,;-2.47,-23.64,;-3.77,-22.83,;-5.04,-23.71,;-5.03,-25.24,;-6.39,-22.92,;-6.37,-21.38,;-5.03,-20.6,;-7.73,-23.68,;-9.07,-22.92,;-10.39,-23.68,;-9.06,-21.37,;30.95,-23.02,;30.95,-21.49,;32.27,-23.8,;33.65,-23.1,;34.99,-23.89,;34.98,-25.44,;36.28,-23.06,;37.61,-23.84,;37.61,-25.39,;38.93,-26.16,;38.93,-27.71,;40.25,-28.48,;40.18,-29.99,;38.94,-23.08,;38.94,-21.55,;40.27,-23.85,;41.64,-23.14,;42.98,-23.92,;42.98,-25.47,;44.28,-23.1,;45.61,-23.87,;46.93,-23.11,;46.94,-21.58,;48.27,-23.88,;49.63,-23.16,;49.64,-21.62,;50.97,-23.94,;50.97,-25.49,;52.28,-23.13,;53.62,-23.9,;53.61,-25.46,;54.93,-26.23,;54.93,-27.78,;56.26,-28.55,;56.19,-30.08,;54.94,-23.14,;54.95,-21.61,;56.28,-23.91,;57.64,-23.18,;57.65,-21.65,;58.99,-20.88,;59,-19.34,;60.32,-18.55,;60.36,-17.01,;58.99,-16.21,;61.66,-16.21,;58.98,-23.96,;58.98,-25.51,;60.29,-23.16,;61.61,-23.94,;61.61,-25.49,;62.92,-26.27,;64.3,-25.68,;65.34,-26.82,;64.57,-28.15,;63.07,-27.8,;62.93,-23.19,;62.94,-21.66,;64.27,-23.95,;65.61,-23.19,;65.62,-21.67,;66.96,-20.9,;66.97,-19.36,;68.31,-18.61,;68.34,-17.07,;66.98,-16.31,;69.67,-16.29,;66.95,-23.97,;66.95,-25.52,;68.29,-23.2,;69.62,-23.98,;69.62,-25.53,;70.94,-26.3,;70.94,-27.86,;72.26,-28.63,;72.25,-30.18,;70.95,-23.22,;72.29,-24,;70.96,-21.69,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)64(140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT2B


(Homo sapiens (Human))
BDBM50255525
PNG
(Ac-SGRGKGGK(CoA)GLGKGGAKRHRK | CHEMBL448227)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=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](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,53.54,51.51,93.103,80.88,153.155,32.32,108.113,174.177,wD:48.47,50.59,4.4,122.124,144.146,164.166,185.188,12.71,(30.94,-27.66,;30.94,-26.11,;32.27,-25.35,;29.62,-25.34,;29.62,-23.78,;28.29,-23.01,;27,-23.86,;26.99,-25.41,;25.66,-23.07,;24.28,-23.77,;22.95,-22.99,;22.96,-21.46,;21.6,-23.77,;21.59,-25.32,;22.92,-26.09,;22.91,-27.64,;24.24,-28.41,;24.13,-29.95,;22.85,-30.79,;22.84,-32.34,;21.51,-30.01,;20.16,-30.78,;20.16,-32.32,;18.81,-33.09,;18.72,-34.63,;20.05,-35.4,;21.38,-34.64,;20.04,-36.96,;21.37,-37.73,;21.34,-39.27,;20,-40.04,;18.66,-39.26,;19.99,-41.57,;18.61,-42.33,;21.32,-42.33,;22.66,-43.11,;20.54,-43.68,;22.09,-41.02,;23.64,-41.02,;24.41,-39.69,;25.09,-38.34,;23.08,-38.93,;25.75,-40.48,;27.08,-39.72,;28.36,-38.93,;26.32,-38.38,;27.86,-41.06,;27.08,-42.4,;27.84,-43.73,;27.19,-45.15,;28.33,-46.17,;29.67,-45.42,;30.96,-46.03,;29.36,-43.91,;30.41,-42.78,;31.91,-43.11,;33.34,-43.43,;32.19,-41.6,;31.57,-44.61,;28.16,-47.71,;26.83,-48.47,;27.14,-49.98,;28.66,-50.15,;29.56,-51.4,;28.92,-52.8,;31.09,-51.26,;31.73,-49.85,;30.83,-48.59,;29.3,-48.75,;20.27,-22.99,;18.93,-23.76,;18.92,-25.29,;17.59,-22.98,;16.24,-23.73,;14.9,-22.97,;14.9,-21.41,;13.57,-23.73,;12.24,-22.95,;10.92,-23.73,;10.91,-25.27,;9.58,-22.96,;9.58,-21.4,;10.93,-20.63,;10.93,-19.1,;12.28,-18.33,;12.27,-16.74,;8.21,-23.66,;6.85,-22.92,;6.86,-21.37,;5.53,-23.68,;4.22,-22.87,;2.93,-23.71,;2.93,-25.24,;1.59,-22.92,;1.59,-21.38,;2.94,-20.6,;2.94,-19.07,;4.22,-18.2,;4.3,-16.67,;2.9,-15.81,;5.58,-15.81,;.21,-23.61,;-1.14,-22.88,;-1.14,-21.32,;-2.47,-23.64,;-3.77,-22.83,;-5.04,-23.71,;-5.03,-25.24,;-6.39,-22.92,;-6.37,-21.38,;-5.03,-20.6,;-7.73,-23.68,;-9.07,-22.92,;-10.39,-23.68,;-9.06,-21.37,;30.95,-23.02,;30.95,-21.49,;32.27,-23.8,;33.65,-23.1,;34.99,-23.89,;34.98,-25.44,;36.28,-23.06,;37.61,-23.84,;37.61,-25.39,;38.93,-26.16,;38.93,-27.71,;40.25,-28.48,;40.18,-29.99,;38.94,-23.08,;38.94,-21.55,;40.27,-23.85,;41.64,-23.14,;42.98,-23.92,;42.98,-25.47,;44.28,-23.1,;45.61,-23.87,;46.93,-23.11,;46.94,-21.58,;48.27,-23.88,;49.63,-23.16,;49.64,-21.62,;50.97,-23.94,;50.97,-25.49,;52.28,-23.13,;53.62,-23.9,;53.61,-25.46,;54.93,-26.23,;54.93,-27.78,;56.26,-28.55,;56.19,-30.08,;54.94,-23.14,;54.95,-21.61,;56.28,-23.91,;57.64,-23.18,;57.65,-21.65,;58.99,-20.88,;59,-19.34,;60.32,-18.55,;60.36,-17.01,;58.99,-16.21,;61.66,-16.21,;58.98,-23.96,;58.98,-25.51,;60.29,-23.16,;61.61,-23.94,;61.61,-25.49,;62.92,-26.27,;64.3,-25.68,;65.34,-26.82,;64.57,-28.15,;63.07,-27.8,;62.93,-23.19,;62.94,-21.66,;64.27,-23.95,;65.61,-23.19,;65.62,-21.67,;66.96,-20.9,;66.97,-19.36,;68.31,-18.61,;68.34,-17.07,;66.98,-16.31,;69.67,-16.29,;66.95,-23.97,;66.95,-25.52,;68.29,-23.2,;69.62,-23.98,;69.62,-25.53,;70.94,-26.3,;70.94,-27.86,;72.26,-28.63,;72.25,-30.18,;70.95,-23.22,;72.29,-24,;70.96,-21.69,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)64(140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.24E+5n/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 KAT5


(Homo sapiens (Human))
BDBM50255524
PNG
(Ac-SGRGK(CoA)GGKGLGKGGAKRHRK | CHEMBL505605)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=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)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,65.64,67.76,29.88,108.113,153.155,93.103,174.177,wD:68.68,70.71,49.49,144.146,12.17,164.166,4.4,185.188,122.124,(32.95,-10.85,;32.95,-9.29,;34.26,-8.53,;31.63,-8.53,;31.63,-6.98,;30.31,-6.18,;28.99,-6.97,;28.99,-8.52,;27.64,-6.19,;26.3,-6.95,;24.94,-6.21,;24.94,-4.69,;23.63,-6.97,;23.63,-8.52,;24.94,-9.28,;24.94,-10.84,;26.26,-11.59,;26.25,-13.1,;22.32,-6.16,;21.02,-6.99,;21.02,-8.55,;19.66,-6.21,;18.3,-6.93,;16.95,-6.2,;16.95,-4.67,;15.63,-6.95,;14.32,-6.15,;13.03,-6.99,;13.03,-8.54,;11.68,-6.2,;11.68,-4.69,;13.03,-3.91,;13.03,-2.39,;14.37,-1.62,;14.37,-.08,;15.75,.61,;17.08,-.16,;15.75,2.15,;17.08,2.92,;18.42,3.69,;18.42,5.23,;19.76,6.01,;21.09,5.23,;21.09,3.69,;22.42,6.01,;23.77,5.23,;25.1,6.01,;25.1,7.55,;23.77,8.33,;26.43,8.33,;26.43,9.86,;27.77,7.55,;29.11,6.77,;28.54,8.89,;27,6.21,;27.77,4.88,;27,3.53,;26.23,2.2,;25.66,4.31,;28.33,2.77,;28.33,1.22,;28.33,-.32,;26.79,1.22,;29.88,1.22,;30.64,2.56,;32.19,2.56,;33.1,3.81,;34.56,3.33,;34.56,1.79,;35.81,.88,;33.1,1.32,;32.62,-.15,;33.65,-1.29,;34.68,-2.44,;32.5,-2.33,;34.8,-.26,;35.81,4.24,;35.81,5.78,;37.28,6.26,;38.18,5.01,;39.71,4.85,;40.62,6.1,;40.34,3.44,;39.44,2.19,;37.9,2.36,;37.28,3.76,;10.29,-6.87,;8.9,-6.2,;8.9,-4.68,;7.58,-6.96,;6.26,-6.17,;4.94,-6.96,;4.94,-8.51,;3.59,-6.18,;3.59,-4.66,;4.94,-3.88,;4.94,-2.37,;6.27,-1.6,;6.25,-.06,;4.94,.8,;7.61,.79,;2.23,-6.9,;.86,-6.19,;.86,-4.67,;-.47,-6.95,;-1.76,-6.12,;-3.06,-6.95,;-3.06,-8.48,;-4.39,-6.18,;-4.39,-4.63,;-3.02,-3.68,;-5.77,-6.86,;-7.14,-6.17,;-8.48,-6.94,;-7.14,-4.63,;32.95,-6.22,;32.95,-4.7,;34.29,-6.96,;35.63,-6.2,;36.98,-6.97,;36.98,-8.53,;38.31,-6.2,;39.64,-6.98,;39.64,-8.53,;40.96,-9.29,;40.96,-10.85,;42.28,-11.6,;42.22,-13.16,;40.96,-6.22,;40.96,-4.7,;42.28,-7.02,;43.62,-6.26,;44.97,-7.04,;44.97,-8.6,;46.31,-6.28,;47.68,-6.98,;49,-6.22,;49,-4.71,;50.29,-7.06,;51.61,-6.28,;51.61,-4.76,;52.96,-7.05,;52.96,-8.61,;54.3,-6.29,;55.68,-6.98,;55.68,-8.54,;56.99,-9.3,;56.99,-10.85,;58.31,-11.61,;58.23,-13.21,;56.99,-6.22,;56.99,-4.7,;58.31,-7.03,;59.63,-6.25,;59.63,-4.74,;60.98,-3.96,;60.98,-2.44,;62.33,-1.68,;62.38,-.14,;61.02,.57,;63.66,.6,;60.98,-7.03,;60.98,-8.58,;62.32,-6.27,;63.68,-6.98,;63.68,-8.54,;65,-9.3,;66.39,-8.7,;67.42,-9.86,;66.64,-11.18,;65.14,-10.84,;65,-6.23,;65,-4.72,;66.33,-7.01,;67.66,-6.23,;67.66,-4.71,;69.01,-3.93,;69.01,-2.41,;70.36,-1.67,;70.36,-.13,;69.05,.59,;71.7,.62,;69.01,-7,;69.01,-8.55,;70.35,-6.24,;71.69,-7,;71.69,-8.56,;73,-9.32,;73,-10.88,;74.32,-11.64,;74.33,-13.2,;73,-6.25,;74.35,-7.03,;73,-4.73,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)141-62(20-7-12-29-108)91(166)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-129-92(167)64(142-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,159)(H,142,158)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
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n/an/a 1.43E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT5


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT5


(Homo sapiens (Human))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/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/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 3.75E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation


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 KAT2B


(Homo sapiens (Human))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/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/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 6.67E+5n/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 p300


(Homo sapiens (Human))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/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/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a>1.00E+6n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


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