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PubMed code 27088648

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))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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Article
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1.50E+4n/an/an/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ac-KRSK-MCA peptide/SAM as substrate preincubated fo...


J Med Chem 59: 3650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01732
BindingDB Entry DOI: 10.7270/Q2X068Z4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3-derived peptide/SAM as subst...


J Med Chem 59: 3650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01732
BindingDB Entry DOI: 10.7270/Q2X068Z4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50173506
PNG
(CHEMBL3809236)
Show SMILES [#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:17|
Show InChI InChI=1S/C22H23N/c1-2-23-15-13-19(14-16-23)22-20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)22/h3-12H,2,13-16H2,1H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3-derived peptide/SAM as subst...


J Med Chem 59: 3650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01732
BindingDB Entry DOI: 10.7270/Q2X068Z4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50173505
PNG
(CHEMBL3809273)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:21|
Show InChI InChI=1S/C26H31N/c1-2-3-4-9-18-27-19-16-23(17-20-27)26-24-12-7-5-10-21(24)14-15-22-11-6-8-13-25(22)26/h5-8,10-15H,2-4,9,16-20H2,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3-derived peptide/SAM as subst...


J Med Chem 59: 3650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01732
BindingDB Entry DOI: 10.7270/Q2X068Z4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50173504
PNG
(CHEMBL3809971)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:18|
Show InChI InChI=1S/C22H21NO/c1-16(24)23-14-12-19(13-15-23)22-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)22/h2-11H,12-15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3-derived peptide/SAM as subst...


J Med Chem 59: 3650-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01732
BindingDB Entry DOI: 10.7270/Q2X068Z4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%