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SMILES: CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F

InChI Key: InChIKey=CYIZQJGLXPBOFM-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50311688   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))
BDBM50311688
PNG
(CHEMBL1080460 | N-(2-methoxybenzyl)-1-(3-((2-(meth...)
Show SMILES CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O2/c1-27-10-11-28-14-16-6-5-8-18(12-16)31-19(13-21(30-31)23(24,25)26)22(32)29-15-17-7-3-4-9-20(17)33-2/h3-9,12-13,27-28H,10-11,14-15H2,1-2H3,(H,29,32)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human recombinant PRMT1 expressed in Escherichia coli by microbeta counting


Bioorg Med Chem Lett 19: 6725-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.110
BindingDB Entry DOI: 10.7270/Q20P104P
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Mus musculus (mouse))
BDBM50311688
PNG
(CHEMBL1080460 | N-(2-methoxybenzyl)-1-(3-((2-(meth...)
Show SMILES CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O2/c1-27-10-11-28-14-16-6-5-8-18(12-16)31-19(13-21(30-31)23(24,25)26)22(32)29-15-17-7-3-4-9-20(17)33-2/h3-9,12-13,27-28H,10-11,14-15H2,1-2H3,(H,29,32)
PDB
MMDB

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PubMed
n/an/a 200n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged mouse recombinant CARM1 expressed in Sf9 cells by microbeta counting


Bioorg Med Chem Lett 19: 6725-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.110
BindingDB Entry DOI: 10.7270/Q20P104P
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7


(Homo sapiens (Human))
BDBM50311688
PNG
(CHEMBL1080460 | N-(2-methoxybenzyl)-1-(3-((2-(meth...)
Show SMILES CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1OC)C(F)(F)F
Show InChI InChI=1S/C23H26F3N5O2/c1-27-10-11-28-14-16-6-5-8-18(12-16)31-19(13-21(30-31)23(24,25)26)22(32)29-15-17-7-3-4-9-20(17)33-2/h3-9,12-13,27-28H,10-11,14-15H2,1-2H3,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant SET7/9 expressed in Escherichia coli by microbeta counting


Bioorg Med Chem Lett 19: 6725-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.110
BindingDB Entry DOI: 10.7270/Q20P104P
More data for this
Ligand-Target Pair