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BDBM50255528 Ac-SGRGK(CoA)QGGKARAKAKTRSSRA::CHEMBL509144

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

InChI Key: InChIKey=SATALGVJXYLVMN-HJRXVMLTSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255528   
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))
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
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 PCAF


(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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
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 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

UniProtKB/SwissProt

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

Similars

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