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SMILES: OC(CNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCc2ccccc2C1

InChI Key: InChIKey=XUYADUJNHAMDAK-UHFFFAOYSA-N

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 4 hits for monomerid = 176832   
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))
BDBM176832
PNG
(US10307413, Compound 13 | US10391089, Compound 13 ...)
Show SMILES OC(CNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176832
PNG
(US10307413, Compound 13 | US10391089, Compound 13 ...)
Show SMILES OC(CNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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 US10980794 (2021)

More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176832
PNG
(US10307413, Compound 13 | US10391089, Compound 13 ...)
Show SMILES OC(CNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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 US10391089 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B7D
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176832
PNG
(US10307413, Compound 13 | US10391089, Compound 13 ...)
Show SMILES OC(CNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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....


J Med Chem 52: 3073-83 (2009)


BindingDB Entry DOI: 10.7270/Q2ZG6VMT
More data for this
Ligand-Target Pair