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BDBM297739 US10118918, Compound 18::US9732072, Compound 18

SMILES: COc1ccc(Cn2cnc3ccc(cc23)-c2ccc(OCC(O)CN3Cc4ccccc4C3)cc2)cc1

InChI Key: InChIKey=FASQCHCZFKLLJJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 297739   
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 5


(Homo sapiens (Human))
BDBM297739
PNG
(US10118918, Compound 18 | US9732072, Compound 18)
Show SMILES COc1ccc(Cn2cnc3ccc(cc23)-c2ccc(OCC(O)CN3Cc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C32H31N3O3/c1-37-29-11-6-23(7-12-29)17-35-22-33-31-15-10-25(16-32(31)35)24-8-13-30(14-9-24)38-21-28(36)20-34-18-26-4-2-3-5-27(26)19-34/h2-16,22,28,36H,17-21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG)...


US Patent US9732072 (2017)


Article DOI: 10.1021/jm060978s
BindingDB Entry DOI: 10.7270/Q2FF3VGW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297739
PNG
(US10118918, Compound 18 | US9732072, Compound 18)
Show SMILES COc1ccc(Cn2cnc3ccc(cc23)-c2ccc(OCC(O)CN3Cc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C32H31N3O3/c1-37-29-11-6-23(7-12-29)17-35-22-33-31-15-10-25(16-32(31)35)24-8-13-30(14-9-24)38-21-28(36)20-34-18-26-4-2-3-5-27(26)19-34/h2-16,22,28,36H,17-21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10118918 (2018)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2ZS2ZK6
More data for this
Ligand-Target Pair