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BDBM425114 US10519167, Compound 2::US11028101, Compound 2

SMILES: CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2COCC1CC(O)C2

InChI Key: InChIKey=WYLNTTIMZRNIRH-DGGBHQDZSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 425114   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM425114
PNG
(US10519167, Compound 2 | US11028101, Compound 2)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2COCC1CC(O)C2
Show InChI InChI=1S/C29H37N3O6/c1-2-38-27-11-20(29(36)32-22-12-24(33)13-23(32)17-37-16-22)7-8-26(27)28(35)31-15-25(34)14-30-21-9-18-5-3-4-6-19(18)10-21/h3-8,11,21-25,30,33-34H,2,9-10,12-17H2,1H3,(H,31,35)/t22?,23?,24?,25-/m0/s1
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PC cid
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US Patent
n/an/a 19n/an/an/an/an/an/a



CTXT PTY LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US11028101 (2021)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM425114
PNG
(US10519167, Compound 2 | US11028101, Compound 2)
Show SMILES CCOc1cc(ccc1C(=O)NC[C@@H](O)CNC1Cc2ccccc2C1)C(=O)N1C2COCC1CC(O)C2
Show InChI InChI=1S/C29H37N3O6/c1-2-38-27-11-20(29(36)32-22-12-24(33)13-23(32)17-37-16-22)7-8-26(27)28(35)31-15-25(34)14-30-21-9-18-5-3-4-6-19(18)10-21/h3-8,11,21-25,30,33-34H,2,9-10,12-17H2,1H3,(H,31,35)/t22?,23?,24?,25-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



CTXT PTY LTD

US Patent


Assay Description
The 6 μL reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered sal...


US Patent US10519167 (2019)


BindingDB Entry DOI: 10.7270/Q24T6MS5
More data for this
Ligand-Target Pair