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PubMed code 20219369

Compile data set for download or QSAR
Found 5 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-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University Park

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant SET7 after 90 mins by SDS-PAGE based scintillation counting


Bioorg Med Chem Lett 20: 2103-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.069
BindingDB Entry DOI: 10.7270/Q2WQ04SW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM50314945
PNG
((S)-4-((4-(amino(iminio)methylamino)butyl)(((2R,3S...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C19H32N10O5/c20-10(18(32)33)3-6-28(5-2-1-4-24-19(22)23)7-11-13(30)14(31)17(34-11)29-9-27-12-15(21)25-8-26-16(12)29/h8-11,13-14,17,30-31H,1-7,20H2,(H,32,33)(H2,21,25,26)(H4,22,23,24)/t10-,11+,13+,14+,17+/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



University Park

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting


Bioorg Med Chem Lett 20: 2103-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.069
BindingDB Entry DOI: 10.7270/Q2WQ04SW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM50314946
PNG
((S)-4-((5-(amino(iminio)methylamino)pentyl)(((2R,3...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C20H34N10O5/c21-11(19(33)34)4-7-29(6-3-1-2-5-25-20(23)24)8-12-14(31)15(32)18(35-12)30-10-28-13-16(22)26-9-27-17(13)30/h9-12,14-15,18,31-32H,1-8,21H2,(H,33,34)(H2,22,26,27)(H4,23,24,25)/t11-,12+,14+,15+,18+/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University Park

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting


Bioorg Med Chem Lett 20: 2103-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.069
BindingDB Entry DOI: 10.7270/Q2WQ04SW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM50314944
PNG
((S)-4-((3-(amino(iminio)methylamino)propyl)(((2R,3...)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C18H30N10O5/c19-9(17(31)32)2-5-27(4-1-3-23-18(21)22)6-10-12(29)13(30)16(33-10)28-8-26-11-14(20)24-7-25-15(11)28/h7-10,12-13,16,29-30H,1-6,19H2,(H,31,32)(H2,20,24,25)(H4,21,22,23)/t9-,10+,12+,13+,16+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



University Park

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting


Bioorg Med Chem Lett 20: 2103-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.069
BindingDB Entry DOI: 10.7270/Q2WQ04SW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM28422
PNG
((2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
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KEGG
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n/an/a 1.20E+4n/an/an/an/an/an/a



University Park

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting


Bioorg Med Chem Lett 20: 2103-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.069
BindingDB Entry DOI: 10.7270/Q2WQ04SW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%