Found 2 hits for monomerid = 50445037 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Histone acetyltransferase PCAF
(Homo sapiens (Human)) | BDBM50445037
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Utrecht University
Curated by ChEMBL
| Assay Description
Inhibition of PCAF (unknown origin) using histone H3 derived peptide as substrate after 20 mins by fluorescence assay |
Bioorg Med Chem Lett 24: 113-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.060
BindingDB Entry DOI: 10.7270/Q2WD4222 |
More data for this
Ligand-Target Pair | |
Histone acetyltransferase PCAF
(Homo sapiens (Human)) | BDBM50445037
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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