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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'sandler' and Initial = 'j'   
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))
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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UniProtKB/SwissProt

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PC sid
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Article
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n/an/a 9.93E+3n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of methyl-transferase activity in GST-tagged recombinant SET7/9 (unknown origin) expressed in Escherichia coli BL21 using H3(1-20)-cys-bio...


Bioorg Med Chem 22: 2253-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.024
BindingDB Entry DOI: 10.7270/Q2FB54FG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of 10 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity a...


Bioorg Med Chem 22: 2253-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.024
BindingDB Entry DOI: 10.7270/Q2FB54FG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 1.95E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of 100 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity ...


Bioorg Med Chem 22: 2253-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.024
BindingDB Entry DOI: 10.7270/Q2FB54FG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
PDB

UniProtKB/SwissProt

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n/an/a 2.25E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin after 5 mins by scintillation proximity assay in presence of [...


Bioorg Med Chem 22: 2253-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.024
BindingDB Entry DOI: 10.7270/Q2FB54FG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.25E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of 50 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity a...


Bioorg Med Chem 22: 2253-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.024
BindingDB Entry DOI: 10.7270/Q2FB54FG
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.64E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal GST-tagged human G9a-mediated-methylation of histone3 expressed in Escherichia coli BL21(DE3) by MALDI-TOF mass spectrometry


Bioorg Med Chem 22: 2253-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.024
BindingDB Entry DOI: 10.7270/Q2FB54FG
More data for this
Ligand-Target Pair