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PubMed code 24345448

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50445037
PNG
(CHEMBL3098704)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8]P([#8])([#8])=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](-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-n1cc(-[#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]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8]P([#8])([#8])=O)-n2cnc3c(-[#7])ncnc23)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C78H137N31O34P4S/c1-41(96-44(4)111)65(118)100-49(19-13-25-89-76(83)84)68(121)101-48(17-8-11-24-80)69(122)103-51(35-138-144(128,129)130)70(123)104-57(43(3)110)72(125)92-32-55(113)91-33-56(114)98-47(66(119)97-42(2)74(127)108-30-15-21-52(108)71(124)102-50(20-14-26-90-77(85)86)67(120)99-46(63(82)117)16-7-10-23-79)18-9-12-29-107-34-45(105-106-107)37-148-31-28-87-54(112)22-27-88-73(126)61(116)78(5,6)38-140-147(136,137)143-146(134,135)139-36-53-60(142-145(131,132)133)59(115)75(141-53)109-40-95-58-62(81)93-39-94-64(58)109/h34,39-43,46-53,57,59-61,75,110,115-116H,7-33,35-38,79-80H2,1-6H3,(H2,82,117)(H,87,112)(H,88,126)(H,91,113)(H,92,125)(H,96,111)(H,97,119)(H,98,114)(H,99,120)(H,100,118)(H,101,121)(H,102,124)(H,103,122)(H,104,123)(H,134,135)(H,136,137)(H2,81,93,94)(H4,83,84,89)(H4,85,86,90)(H2,128,129,130)(H2,131,132,133)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53+,57-,59+,60+,61+,75+/m0/s1
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KEGG
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PC sid
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2013.11.060
BindingDB Entry DOI: 10.7270/Q2WD4222
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50445038
PNG
(CHEMBL3098705)
Show SMILES [#6]-[#6@@H](-[#8])-[#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](-[#6])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-n1cc(-[#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]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8]P([#8])([#8])=O)-n2cnc3c(-[#7])ncnc23)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C78H136N31O31P3S/c1-41(96-44(4)112)65(119)100-49(19-13-25-89-76(83)84)68(122)101-48(17-8-11-24-80)69(123)103-51(35-110)70(124)104-57(43(3)111)72(126)92-32-55(114)91-33-56(115)98-47(66(120)97-42(2)74(128)108-30-15-21-52(108)71(125)102-50(20-14-26-90-77(85)86)67(121)99-46(63(82)118)16-7-10-23-79)18-9-12-29-107-34-45(105-106-107)37-144-31-28-87-54(113)22-27-88-73(127)61(117)78(5,6)38-137-143(134,135)140-142(132,133)136-36-53-60(139-141(129,130)131)59(116)75(138-53)109-40-95-58-62(81)93-39-94-64(58)109/h34,39-43,46-53,57,59-61,75,110-111,116-117H,7-33,35-38,79-80H2,1-6H3,(H2,82,118)(H,87,113)(H,88,127)(H,91,114)(H,92,126)(H,96,112)(H,97,120)(H,98,115)(H,99,121)(H,100,119)(H,101,122)(H,102,125)(H,103,123)(H,104,124)(H,132,133)(H,134,135)(H2,81,93,94)(H4,83,84,89)(H4,85,86,90)(H2,129,130,131)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53+,57-,59+,60+,61+,75+/m0/s1
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KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2013.11.060
BindingDB Entry DOI: 10.7270/Q2WD4222
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50445037
PNG
(CHEMBL3098704)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8]P([#8])([#8])=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](-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-n1cc(-[#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]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8]P([#8])([#8])=O)-n2cnc3c(-[#7])ncnc23)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C78H137N31O34P4S/c1-41(96-44(4)111)65(118)100-49(19-13-25-89-76(83)84)68(121)101-48(17-8-11-24-80)69(122)103-51(35-138-144(128,129)130)70(123)104-57(43(3)110)72(125)92-32-55(113)91-33-56(114)98-47(66(119)97-42(2)74(127)108-30-15-21-52(108)71(124)102-50(20-14-26-90-77(85)86)67(120)99-46(63(82)117)16-7-10-23-79)18-9-12-29-107-34-45(105-106-107)37-148-31-28-87-54(112)22-27-88-73(126)61(116)78(5,6)38-140-147(136,137)143-146(134,135)139-36-53-60(142-145(131,132)133)59(115)75(141-53)109-40-95-58-62(81)93-39-94-64(58)109/h34,39-43,46-53,57,59-61,75,110,115-116H,7-33,35-38,79-80H2,1-6H3,(H2,82,117)(H,87,112)(H,88,126)(H,91,113)(H,92,125)(H,96,111)(H,97,119)(H,98,114)(H,99,120)(H,100,118)(H,101,121)(H,102,124)(H,103,122)(H,104,123)(H,134,135)(H,136,137)(H2,81,93,94)(H4,83,84,89)(H4,85,86,90)(H2,128,129,130)(H2,131,132,133)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53+,57-,59+,60+,61+,75+/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2013.11.060
BindingDB Entry DOI: 10.7270/Q2WD4222
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))		BDBM50445038
PNG
(CHEMBL3098705)
Show SMILES [#6]-[#6@@H](-[#8])-[#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](-[#6])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-n1cc(-[#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]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8]P([#8])([#8])=O)-n2cnc3c(-[#7])ncnc23)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C78H136N31O31P3S/c1-41(96-44(4)112)65(119)100-49(19-13-25-89-76(83)84)68(122)101-48(17-8-11-24-80)69(123)103-51(35-110)70(124)104-57(43(3)111)72(126)92-32-55(114)91-33-56(115)98-47(66(120)97-42(2)74(128)108-30-15-21-52(108)71(125)102-50(20-14-26-90-77(85)86)67(121)99-46(63(82)118)16-7-10-23-79)18-9-12-29-107-34-45(105-106-107)37-144-31-28-87-54(113)22-27-88-73(127)61(117)78(5,6)38-137-143(134,135)140-142(132,133)136-36-53-60(139-141(129,130)131)59(116)75(138-53)109-40-95-58-62(81)93-39-94-64(58)109/h34,39-43,46-53,57,59-61,75,110-111,116-117H,7-33,35-38,79-80H2,1-6H3,(H2,82,118)(H,87,113)(H,88,127)(H,91,114)(H,92,126)(H,96,112)(H,97,120)(H,98,115)(H,99,121)(H,100,119)(H,101,122)(H,102,125)(H,103,123)(H,104,124)(H,132,133)(H,134,135)(H2,81,93,94)(H4,83,84,89)(H4,85,86,90)(H2,129,130,131)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53+,57-,59+,60+,61+,75+/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.17E+5n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.bmcl.2013.11.060
BindingDB Entry DOI: 10.7270/Q2WD4222
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%