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Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 50004053   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50151660
PNG
(CHEMBL3774630)
Show SMILES S(Sc1ccns1)c1ccns1
Show InChI InChI=1S/C6H4N2S4/c1-3-7-9-5(1)11-12-6-2-4-8-10-6/h1-4H
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged TIP60 (unknown origin) expressed in baculovirus-infected insect cell system using histone substrate i...


Citation and Details
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 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)

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
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
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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)

More data for this
Ligand-Target Pair
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50255528
PNG
(Ac-SGRGK(CoA)QGGKARAKAKTRSSRA | CHEMBL509144)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)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)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(O)=O
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
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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)

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
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 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)

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
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 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)

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 6.40E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Tip60 expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrate after 5 ...


Eur J Med Chem 47: 337-44 (2012)

More data for this
Ligand-Target Pair
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant TIP60 (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric ana...


Citation and Details
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50360449
PNG
(CHEMBL1215739)
Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1
Show InChI InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)
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n/an/a 7.40E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged Tip60 expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrate after 5 ...


Eur J Med Chem 47: 337-44 (2012)

More data for this
Ligand-Target Pair
Histone acetyltransferase KAT5


(Homo sapiens (Human))
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 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)

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
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)

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
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
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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)

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
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)

More data for this
Ligand-Target Pair
Histone acetyltransferase KAT5


(Homo sapiens (Human))
BDBM50151659
PNG
(CHEMBL3775244)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)N1C(=O)c2ccccc2C1=O)c1cccs1
Show InChI InChI=1/C32H24N4O4S2/c1-39-27-14-11-20(16-28(27)40-2)26-17-24(29-8-5-15-41-29)34-36(26)32-33-25(18-42-32)19-9-12-21(13-10-19)35-30(37)22-6-3-4-7-23(22)31(35)38/h3-16,18,26H,17H2,1-2H3
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n/an/a 1.49E+5n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of full length TIP60 (unknown origin) expressed in Escherichia coli using N-terminal histone H4-20 peptide substrate incubated for 10 mins...


Citation and Details
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
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)

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)

More data for this
Ligand-Target Pair